Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H13ClN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,1-2H3
SMILES Clc1ccc2c(c1)nc(s2)c1ccc(cc1)N(C)C
InChI Key JTJKNVJLPWBSFH-UHFFFAOYSA-N
Molecular Formula C15H13ClN2S
Exact Mass 288.795 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JTJKNVJLPWBSFH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JTJKNVJLPWBSFH-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-18
Related Molecule
  • 4-(5-chloro-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
    58828192 PubChem
    J3.065.639C Nikkaji
    SCHEMBL14563360 SureChEMBL
    The data in this table is sourced from UniChem at EBI.