Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H18N2S/c1-11(2)18-14-7-5-13(6-8-14)17-19-15-9-4-12(3)10-16(15)20-17/h4-11,18H,1-3H3
SMILES CC(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)C
InChI Key QBUUSKFCOZCDNQ-UHFFFAOYSA-N
Molecular Formula C17H18N2S
Exact Mass 282.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QBUUSKFCOZCDNQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QBUUSKFCOZCDNQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propan-2-ylaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13903781 surechembl
    58817255 pubchem
    The data in this table is sourced from UniChem at EBI.