Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H18O2S2/c15-11-3-1-9(7-11)13(14-17-5-6-18-14)10-2-4-12(16)8-10/h9-10H,1-8H2
SMILES O=C1CCC(C1)C(=C1SCCS1)C1CCC(=O)C1
InChI Key DENARIJVSXWQSI-UHFFFAOYSA-N
Molecular Formula C14H18O2S2
Exact Mass 282.422 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DENARIJVSXWQSI-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/DENARIJVSXWQSI-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-[1,3-dithiolan-2-ylidene-(3-oxocyclopentyl)methyl]cyclopentan-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133084227 PubChem
    The data in this table is sourced from UniChem at EBI.