Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H19NO2S/c1-14(21)16-7-9-17(10-8-16)20-23(22,18-5-3-2-4-6-18)19-11-15(12-19)13-19/h2-10,15H,11-13H2,1H3
SMILES CC(=O)c1ccc(cc1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key VPQUNUIUKCOYDW-UHFFFAOYSA-N
Molecular Formula C19H19NO2S
Exact Mass 325.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VPQUNUIUKCOYDW-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VPQUNUIUKCOYDW-UHFFFAOYSA-N/CHMO0000470
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-[4-[(1-bicyclo[1.1.1]pentanyl-oxo-phenyl-lambda6-sulfanylidene)amino]phenyl]ethanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926376 pubchem
    The data in this table is sourced from UniChem at EBI.