Dataset
Shikimic acid.proton
Chemical Info
InChI | InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6+/m0/s1 |
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SMILES | O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O)C1 |
InChI Key | JXOHGGNKMLTUBP-KVQBGUIXSA-N |
Molecular Formula | C7H10O5 |
Exact Mass | 174.150 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p42.s246.d1427 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1427 |
Version | |
Author | Peter Spiteller |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:52:21.770783 |
MetadataModified | 2024-09-23T09:29:55.850807 |
MetadataPublished | 2023-12-24 21:57:47 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
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