Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H19NO2S/c1-19-12-14-22(15-13-19)26(24,25)23(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,18H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C#Cc1ccccc1
InChI Key GVJPCYQNQCNEAO-UHFFFAOYSA-N
Molecular Formula C22H19NO2S
Exact Mass 361.457 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GVJPCYQNQCNEAO-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/GVJPCYQNQCNEAO-UHFFFAOYSA-N/IR.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-14
Related Molecule
  • N-benzyl-4-methyl-N-(2-phenylethynyl)benzenesulfonamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23036810 surechembl
    11325903 pubchem
    The data in this table is sourced from UniChem at EBI.