Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H17ClOS2/c13-5-4-11(12-15-6-7-16-12)9-2-1-3-10(14)8-9/h9H,1-8H2
SMILES ClCCC(=C1SCCS1)C1CCCC(=O)C1
InChI Key XCZVBGQHMCFXSF-UHFFFAOYSA-N
Molecular Formula C12H17ClOS2
Exact Mass 276.846 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCZVBGQHMCFXSF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XCZVBGQHMCFXSF-UHFFFAOYSA-N/IR
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-13
Related Molecule
  • 3-[3-chloro-1-(1,3-dithiolan-2-ylidene)propyl]cyclohexan-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    132991789 pubchem
    The data in this table is sourced from UniChem at EBI.