Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccccc1
InChI Key NNXGMQKTMUWZBW-UHFFFAOYSA-N
Molecular Formula C14H11NS
Exact Mass 225.309 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NNXGMQKTMUWZBW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NNXGMQKTMUWZBW-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 6-methyl-2-phenyl-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    507097 surechembl
    4323794 pubchem
    WESWAV CCDC
    Molport-001-812-812 molport
    The data in this table is sourced from UniChem at EBI.