Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H19NS/c1-12-5-10-15-16(11-12)20-17(19-15)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)C(C)(C)C
InChI Key KMWDVZIQOFYBIA-UHFFFAOYSA-N
Molecular Formula C18H19NS
Exact Mass 281.415 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMWDVZIQOFYBIA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KMWDVZIQOFYBIA-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL13483834 SureChEMBL
    ZINC000045923462 ZINC
    50849844 PubChem
    The data in this table is sourced from UniChem at EBI.