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/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
SMILES Oc1cccc(c1)c1nc2c(s1)cccc2
InChI Key JIWVTDBBMGSTFI-UHFFFAOYSA-N
Molecular Formula C13H9NOS
Exact Mass 227.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/JIWVTDBBMGSTFI-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Jérôme Wagner
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 3-(1,3-benzothiazol-2-yl)phenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL149322 chembl
    2248827 surechembl
    242605 pubchem
    Molport-002-124-252 molport
    33577 bindingdb
    The data in this table is sourced from UniChem at EBI.