Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H15NS3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H
SMILES Sc1ccc(cc1)N(c1ccc(cc1)S)c1ccc(cc1)S
InChI Key ZLULXIUFJWOSNJ-UHFFFAOYSA-N
Molecular Formula C18H15NS3
Exact Mass 341.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZLULXIUFJWOSNJ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/ZLULXIUFJWOSNJ-UHFFFAOYSA-N/Mass
Version
Author Ksenia Kutonova
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-04-10
Related Molecule
  • 4-(4-sulfanyl-~{N}-(4-sulfanylphenyl)anilino)benzenethiol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18336557 pubchem
    The data in this table is sourced from UniChem at EBI.