Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H7ClN2S/c15-11-5-6-13-12(7-11)17-14(18-13)10-3-1-9(8-16)2-4-10/h1-7H
SMILES N#Cc1ccc(cc1)c1nc2c(s1)ccc(c2)Cl
InChI Key XNPQNKNZBZIPFJ-UHFFFAOYSA-N
Molecular Formula C14H7ClN2S
Exact Mass 270.737 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-(5-chloro-1,3-benzothiazol-2-yl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944368 pubchem
    The data in this table is sourced from UniChem at EBI.