Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C8H6O4S2/c9-7(10)3-1-5(13)4(8(11)12)2-6(3)14/h1-2,13-14H,(H,9,10)(H,11,12) |
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SMILES | OC(=O)c1cc(S)c(cc1S)C(=O)O |
InChI Key | YYGZWQNDFRCZIF-UHFFFAOYSA-N |
Molecular Formula | C8H6O4S2 |
Exact Mass | 230.261 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/YYGZWQNDFRCZIF-UHFFFAOYSA-N/NMR/1H/DMSO/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YYGZWQNDFRCZIF-UHFFFAOYSA-N/NMR/1H/DMSO/400 |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:56:32.105669 |
MetadataModified | 2024-09-07T13:20:56.496120 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL939857 | SureChEMBL |
117659 | PubChem |
25906-66-5 | ACToR |
CB2906830 | ChemicalBook |
DTXSID20180575 | EPA CompTox Dashboard |
J287.354K | Nikkaji |
The data in this table is sourced from UniChem at EBI. |