Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3
SMILES CCNc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key KWUZCAVKPCRJPO-UHFFFAOYSA-N
Molecular Formula C16H16N2S
Exact Mass 268.377 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWUZCAVKPCRJPO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KWUZCAVKPCRJPO-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60026058 PubChem
    SCHEMBL13903820 SureChEMBL
    ZINC000075824899 ZINC
    PD121501 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.