Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H18N2S/c1-15-7-12-19-20(13-15)24-21(23-19)17-8-10-18(11-9-17)22-14-16-5-3-2-4-6-16/h2-13,22H,14H2,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NCc1ccccc1
InChI Key DFNVJQOYTSHVCU-UHFFFAOYSA-N
Molecular Formula C21H18N2S
Exact Mass 330.446 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DFNVJQOYTSHVCU-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DFNVJQOYTSHVCU-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • N-benzyl-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
    19644319 PubChem
    SCHEMBL10600442 SureChEMBL
    The data in this table is sourced from UniChem at EBI.