Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-carboxy-2-(hydroxymethyl)phenyl]-3-(hydroxymethyl)benzoic acid)
Chemical Info
InChI | InChI=1S/C16H14O6/c17-7-11-5-9(15(19)20)1-3-13(11)14-4-2-10(16(21)22)6-12(14)8-18/h1-6,17-18H,7-8H2,(H,19,20)(H,21,22) |
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SMILES | O=C(O)c1ccc(-c2ccc(C(=O)O)cc2CO)c(CO)c1 |
InChI Key | XOMAWRGAHXFZSS-UHFFFAOYSA-N |
Molecular Formula | C16H14O6 |
Exact Mass | 302.282 g/mol |
Data and Resources
Related Resources
This dataset related as IsPartOf to https://dx.doi.org/10.14272/XOMAWRGAHXFZSS-UHFFFAOYSA-N.1
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
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Version | |
Author | Grosjean, Sylvain |
Maintainer | chemotion.net |
Language | en |
MetadataCreated | 2022-10-06T16:33:45.625010 |
MetadataModified | 2022-10-06T16:33:45.625016 |
MetadataPublished |
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Measurement Technique | |
Measurement Variables |