Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H23NOS/c1-3-4-8-19(18,16-10-14(11-16)12-16)17-15-7-5-6-13(2)9-15/h5-7,9,14H,3-4,8,10-12H2,1-2H3
SMILES CCCCS(=Nc1cccc(c1)C)(=O)C12CC(C1)C2
InChI Key HZARWVQDVDLWQM-UHFFFAOYSA-N
Molecular Formula C16H23NOS
Exact Mass 277.425 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HZARWVQDVDLWQM-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HZARWVQDVDLWQM-UHFFFAOYSA-N/CHMO0000470
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-butyl-(3-methylphenyl)imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926388 pubchem
    The data in this table is sourced from UniChem at EBI.