Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H16ClNOS/c18-14-5-4-6-15(9-14)19-21(20,16-7-2-1-3-8-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
SMILES Clc1cccc(c1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key LRVVWEYYTNYWNE-UHFFFAOYSA-N
Molecular Formula C17H16ClNOS
Exact Mass 317.833 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRVVWEYYTNYWNE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LRVVWEYYTNYWNE-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-(3-chlorophenyl)imino-oxo-phenyl-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926367 PubChem
    The data in this table is sourced from UniChem at EBI.