Dataset

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

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

Chemical Information

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
MetadataPublished 2024-06-26
Related Molecule
  • 4-methylbenzenesulfonohydrazide
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL221182 ChEMBL
    ZINC000000154720 ZINC
    50370853 BindingDB
    J40.602C Nikkaji
    PEZMEM CCDC
    DTXSID8051756 EPA CompTox Dashboard
    15303 PubChem
    LR93R5002M FDA SRS
    15120722 PubChem: Thomson Pharma
    SCHEMBL9091 SureChEMBL
    1576-35-8 ACToR
    480637 eMolecules
    MCULE-8319957597 Mcule
    CB6156664 ChemicalBook
    62026 Brenda
    The data in this table is sourced from UniChem at EBI.