Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H12OS2/c1-7(3-4-8(2)10)9-11-5-6-12-9/h3-4H,5-6H2,1-2H3/b4-3+
SMILES CC(=C1SCCS1)/C=C/C(=O)C
InChI Key LDGXSBDCBZHQOU-ONEGZZNKSA-N
Molecular Formula C9H12OS2
Exact Mass 200.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDGXSBDCBZHQOU-ONEGZZNKSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LDGXSBDCBZHQOU-ONEGZZNKSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • (E)-5-(1,3-dithiolan-2-ylidene)hex-3-en-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083270 PubChem
    The data in this table is sourced from UniChem at EBI.