Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
SMILES CN(c1ccc(cc1)c1nc2c(s1)cccc2)C
InChI Key HYKGLCSXVAAXNC-UHFFFAOYSA-N
Molecular Formula C15H14N2S
Exact Mass 254.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HYKGLCSXVAAXNC-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HYKGLCSXVAAXNC-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-11
Related Molecule
  • 4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL92816 chembl
    61917 surechembl
    95755 pubchem
    PD119807 probes_and_drugs
    ECAGIB CCDC
    26304 brenda
    Molport-000-864-044 molport
    50129791 bindingdb
    The data in this table is sourced from UniChem at EBI.