Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H17NOS/c19-20(16-9-5-2-6-10-16,17-11-14(12-17)13-17)18-15-7-3-1-4-8-15/h1-10,14H,11-13H2
SMILES O=S(=Nc1ccccc1)(C12CC(C1)C2)c1ccccc1
InChI Key TWDWAAYCQHATGX-UHFFFAOYSA-N
Molecular Formula C17H17NOS
Exact Mass 283.388 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TWDWAAYCQHATGX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/TWDWAAYCQHATGX-UHFFFAOYSA-N/CHMO0000470
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-oxo-phenyl-phenylimino-lambda6-sulfane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926389 pubchem
    The data in this table is sourced from UniChem at EBI.