Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H18OS2/c1-3-9(5-6-10(12)4-2)11-13-7-8-14-11/h3-8H2,1-2H3
SMILES CCC(=C1SCCS1)CCC(=O)CC
InChI Key YDJFXLVHPNACDY-UHFFFAOYSA-N
Molecular Formula C11H18OS2
Exact Mass 230.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YDJFXLVHPNACDY-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/YDJFXLVHPNACDY-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 6-(1,3-dithiolan-2-ylidene)octan-3-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053739 PubChem
    The data in this table is sourced from UniChem at EBI.