Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H24O2S2/c1-5-13(15)17-8-6-7-16-12(10(2)3)9-11(4)14/h10,12H,5-9H2,1-4H3
SMILES CCC(=O)SCCCSC(C(C)C)CC(=O)C
InChI Key LGBVJUDEOLYQDS-UHFFFAOYSA-N
Molecular Formula C13H24O2S2
Exact Mass 276.458 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LGBVJUDEOLYQDS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LGBVJUDEOLYQDS-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • S-[3-(2-methyl-5-oxohexan-3-yl)sulfanylpropyl] propanethioate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453686 pubchem
    The data in this table is sourced from UniChem at EBI.