Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3
SMILES Cc1cc(C)cc(c1S(=O)C12CC(C1)C2)C
InChI Key XXXLXGIKCRQFEA-UHFFFAOYSA-N
Molecular Formula C14H18OS
Exact Mass 234.357 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXXLXGIKCRQFEA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/XXXLXGIKCRQFEA-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-19
Related Molecule
  • 1-(2,4,6-trimethylphenyl)sulfinylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168499168 pubchem
    The data in this table is sourced from UniChem at EBI.