Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H10N2O2S/c1-9-2-7-12-13(8-9)19-14(15-12)10-3-5-11(6-4-10)16(17)18/h2-8H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)[N+](=O)[O-]
InChI Key YYVNJMDZXBHEAA-UHFFFAOYSA-N
Molecular Formula C14H10N2O2S
Exact Mass 270.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYVNJMDZXBHEAA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YYVNJMDZXBHEAA-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 6-methyl-2-(4-nitrophenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL10311768 SureChEMBL
    57585565 PubChem: Thomson Pharma
    ZINC000059184725 ZINC
    25233601 PubChem
    The data in this table is sourced from UniChem at EBI.