Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
SMILES NNS(=O)(=O)c1ccc(cc1)C
InChI Key ICGLPKIVTVWCFT-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
Exact Mass 186.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ICGLPKIVTVWCFT-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ICGLPKIVTVWCFT-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:56:20.517062
MetadataModified 2024-09-08T03:56:20.517068
MetadataPublished 2024-06-26
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL221182 ChEMBL
480637 eMolecules
LR93R5002M FDA SRS
15120722 PubChem: Thomson Pharma
SCHEMBL9091 SureChEMBL
1576-35-8 ACToR
PEZMEM CCDC
J40.602C Nikkaji
MCULE-8319957597 Mcule
DTXSID8051756 EPA CompTox Dashboard
50370853 BindingDB
ZINC000000154720 ZINC
62026 Brenda
15303 PubChem
CB6156664 ChemicalBook
The data in this table is sourced from UniChem at EBI.