Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO3S/c1-12-7-9-13(10-8-12)19(17,18)15-11-5-3-2-4-6-14(15)16/h7-10H,2-6,11H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCCCC1=O
InChI Key UWWUPXQSHNUJKJ-UHFFFAOYSA-N
Molecular Formula C14H19NO3S
Exact Mass 281.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWWUPXQSHNUJKJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UWWUPXQSHNUJKJ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(4-methylphenyl)sulfonylazocan-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85645104 pubchem
    The data in this table is sourced from UniChem at EBI.