Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C29H24S2/c1-3-11-22(12-4-1)24-15-7-9-17-26(24)30-28-19-29(20-28,21-28)31-27-18-10-8-16-25(27)23-13-5-2-6-14-23/h1-18H,19-21H2
SMILES c1ccc(cc1)c1ccccc1SC12CC(C1)(C2)Sc1ccccc1c1ccccc1
InChI Key PINRSYZIAIUFQE-UHFFFAOYSA-N
Molecular Formula C29H24S2
Exact Mass 436.631 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PINRSYZIAIUFQE-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/PINRSYZIAIUFQE-UHFFFAOYSA-N/Mass
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-11
Related Molecule
  • 1,3-bis[(2-phenylphenyl)sulfanyl]bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137331336 pubchem
    The data in this table is sourced from UniChem at EBI.