Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
SMILES CC(C(=C1SCCS1)c1ccccc1)CC(O)C
InChI Key IECVTZNNDJQHMF-UHFFFAOYSA-N
Molecular Formula C15H20OS2
Exact Mass 280.449 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IECVTZNNDJQHMF-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IECVTZNNDJQHMF-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-03-11
Related Molecule
  • 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083275 PubChem
    The data in this table is sourced from UniChem at EBI.