Dataset
Catechin annotated NMR 400 MHz DMSOd6 data.1d
Chemical Info
InChI | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 |
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SMILES | OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O)=C1 |
InChI Key | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
Molecular Formula | C15H14O6 |
Exact Mass | 290.270 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p33.s211.d1116 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1116 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T17:01:15.072573 |
MetadataModified | 2024-09-23T09:36:58.955946 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
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