chemspider_userguide 2014_tcm18-235139.pdf

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Your guide to the most comprehensive freely available chemical database on the web

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  • Your guide to the most comprehensive

    freely available chemical database

    on the web

  • ChemSpider start your chemistry search

    Are you searching for chemistry data? Your time is precious; we know you need to get to the right information fast.

    ChemSpider can help you. Its a free chemical structure database providing fast access to over 30+ million structures, properties and associated information.

    ChemSpider integrates and links compounds from 470+ data sources, enabling you to discover the most comprehensive view of freely available chemical data from a single online search, making it the perfect place for you to start your chemistry search.

    www.chemspider.com [email protected]

  • Add data to this record

    Identifier Description

    Image Spectrum

    CIF Data source

    Publication DOI

    PubMed ID URL

    Raise your profile and get involvedChemSpider grows daily with more depositions, more links. We invite you to help us build this community by contributing your structures, spectra and syntheses.

    Better data means better science. Better science leads to better solutions for the world. From leaving a comment on a record to becoming a registered user and adding links and data, every contribution you make helps ChemSpider become a bigger, more useful, higher quality resource for the chemistry community across the globe.

    Leave FeedbackThe simplest way to help improve ChemSpider is to leave a comment when you see something that you can add your knowledge to. Our curators will then act upon your feedback and respond to you.

    CurationWhen you register as a user you can edit names and identifiers, promote good names and demote bad synonyms, as well as add new identifiers. Your name will appear beside all of the changes you make, demonstrating your knowledge and skills to people who read that record.

    Adding dataYou can include:

    links to articles or webpages Spectra and/or CIFs with links back to your publications and websiteIncrease your visibility by prominently displaying your work on a platform that is freely available to all.

    Deposit your own chemical structuresIf you cant find a compound that you have made why not deposit it? You should have some supporting evidence, a journal citation or ELN reference.

    ChemSpider anytime, anyplace, anywhereWant to search for data anytime, anyplace, anywhere? You can now download the ChemSpider apple or android app for free.

  • What information can you get from a record?

    Basic data on the compound, including a downloadable structure, name, formula and mass.

    A list of different names, abbreviations and IDs relating to this structure.

    Access to high quality predicted property data and, where available, measured data.

    The ability to provide feedback on the data presented in the record.

    Bespoke searches that allow you to perform advanced searches on ChemSpider and external sites.

    Interactive spectral data (NMR, MS, IR, UV-Vis) which can be associated with related publications or research group webpages.

  • Find out if the compound is commercially available, and click through to the vendors website for more information.

    Selected publication data for articles and books, including links to RSC content, PubMed, and user contributed article recommendations

    Links out to Wikipedia articles.

    Links back to all the data sources contributing to this record, grouped by topic so that you can find more information which may be contained in specialist resources.

    Rich media, including videos and podcasts.

  • How would I perform a name search for a compound? E.g. aspirin

    A quick snapshot of related patent applications provided by external sites.

    STEP 1Enter your search term into the search box on the ChemSpider homepage and click Search. Search suggestions will appear as you start to type.

    STEP 2If your search returns 2 or more matches you will see a list of results; if there is only one match that record will be displayed.

    The top of the record view will always give you a chemical structure and a systematic name.

  • How would I perform a structure search for a compound? For example

    2. LoadIf you have the structure saved on your computer you can upload it in the following formats: mol, cdx or skc file.

    3. ConvertGenerate a chemical structure by typing in a compound name and clicking Convert.

    Loaded or Converted structures can be edited in the Draw mode. When you are happy with the structure click Accept to take you back to the search interface.

    STEP 1Select the Search option from the top navigation bar and choose Structure search from the drop down menu.

    STEP 2Click on the image of a structure to open a pop-up that allows you to enter a chemical structure. We provide 3 different methods of entering a structure.

    1. DrawYou can draw the structure using your choice of one of the embedded structure drawing editors.(You can copy and paste structures from your favourite drawing package into most of the editors).

    STEP 3Once the structure is entered you can alter the search options to modify the scope of the search. You can also select whether you run an Exact, similarity or Sun-structure search

  • ChemSpider SyntheticPagesChemSpider SyntheticPages (CSSP) is a free database of practical procedures in synthetic chemistry, contributed by the community for the community. Access it at http://cssp.chemspider.com

    Royal Society of Chemistrywww.rsc.org

    Registered charity number: 207890 Royal Society of Chemistry 2014

    Thomas Graham HouseScience Park, Milton RoadCambridge, CB4 0WF, UKTel: +44 (0)1223 420066

    Burlington HousePiccadilly, LondonW1J 0BA, UKTel: +44 (0)20 7437 8656

    International Offices So Paulo, Brazil Beijing, ChinaShanghai, China

    Bangalore, India Tokyo, JapanPhiladelphia, USA 12

    1315

    Each Synthetic Page has a DOI, making it easier to cite

    Detailed procedure with no length limit

    Leave comments or ask questions about the procedure

    Compounds can be linked to ChemSpider and other resources

    Valuable tips and tricks so you can make the reaction work first time

    Interactive and downloadable spectra