Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H21NOS/c1-15-6-5-9-18(10-15)20-22(21,19-11-17(12-19)13-19)14-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3
SMILES Cc1cccc(c1)N=S(=O)(C12CC(C1)C2)Cc1ccccc1
InChI Key VPKNGPRXVATLJS-UHFFFAOYSA-N
Molecular Formula C19H21NOS
Exact Mass 311.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VPKNGPRXVATLJS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VPKNGPRXVATLJS-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • benzyl-(1-bicyclo[1.1.1]pentanyl)-(3-methylphenyl)imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926365 PubChem
    The data in this table is sourced from UniChem at EBI.