Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H20O3S2/c1-21-16-10-8-15(9-11-16)18(20)22-17(14-6-3-2-4-7-14)19-23-12-5-13-24-19/h2-4,6-11,17,19H,5,12-13H2,1H3
SMILES COc1ccc(cc1)C(=O)OC(c1ccccc1)C1SCCCS1
InChI Key ARXUTDUPDPTHBH-UHFFFAOYSA-N
Molecular Formula C19H20O3S2
Exact Mass 360.490 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ARXUTDUPDPTHBH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ARXUTDUPDPTHBH-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • [1,3-dithian-2-yl(phenyl)methyl] 4-methoxybenzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453552 PubChem
    The data in this table is sourced from UniChem at EBI.