Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H15NO2S/c1-3-17(13-15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16/h1,4-12H,13H2,2H3
SMILES C#CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
InChI Key VLGDAJJQNOQJRW-UHFFFAOYSA-N
Molecular Formula C16H15NO2S
Exact Mass 285.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLGDAJJQNOQJRW-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/VLGDAJJQNOQJRW-UHFFFAOYSA-N/IR.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-14
Related Molecule
  • N-benzyl-N-ethynyl-4-methylbenzenesulfonamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID00451871 EPA CompTox Dashboard
    J1.378.556B Nikkaji
    11011556 PubChem
    16073002 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.