Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
SMILES Oc1ccccc1c1nc2c(s1)cccc2
InChI Key MVVGSPCXHRFDDR-UHFFFAOYSA-N
Molecular Formula C13H9NOS
Exact Mass 227.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MVVGSPCXHRFDDR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MVVGSPCXHRFDDR-UHFFFAOYSA-N/CHMO0000595
Version
Author Jérôme Wagner
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(1,3-benzothiazol-2-yl)phenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:180629 chebi
    CHEMBL1650632 chembl
    196475 surechembl
    30132720 surechembl
    18874 pubchem
    40UQ1I362I fdasrs
    HPBTAZ CCDC
    Molport-001-661-517 molport
    50484063 bindingdb
    The data in this table is sourced from UniChem at EBI.