Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)c1ccccc1
InChI Key MQTOXMPVDWKAQQ-UHFFFAOYSA-N
Molecular Formula C20H15NS
Exact Mass 301.405 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MQTOXMPVDWKAQQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MQTOXMPVDWKAQQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000045923466 ZINC
    50849845 PubChem
    The data in this table is sourced from UniChem at EBI.