Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
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)
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/13C/DMSO/100
License URL
Source https://www.chemotion-repository.net/inchikey/YYGZWQNDFRCZIF-UHFFFAOYSA-N/NMR/13C/DMSO/100
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:56:27.423639
MetadataModified 2024-09-07T13:20:48.047987
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C 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.