Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H17NO4S/c24-22(25)20-11-13-21(14-12-20)28(26,27)23(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,17H2,(H,24,25)
SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C#Cc1ccccc1
InChI Key YKLLHLSJDBJTPI-UHFFFAOYSA-N
Molecular Formula C22H17NO4S
Exact Mass 391.440 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YKLLHLSJDBJTPI-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/YKLLHLSJDBJTPI-UHFFFAOYSA-N/IR.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-14
Related Molecule
  • 4-[benzyl(2-phenylethynyl)sulfamoyl]benzoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    76871752 PubChem
    J3.557.641J Nikkaji
    The data in this table is sourced from UniChem at EBI.