Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H18N2O2S2/c18-22(20,14-7-3-1-4-8-14)16-11-17(12-16,13-16)23(19,21)15-9-5-2-6-10-15/h1-10,18-19H,11-13H2
SMILES N=S(=O)(C12CC(C1)(C2)S(=O)(=N)c1ccccc1)c1ccccc1
InChI Key CDAKGQIKEQOXFO-UHFFFAOYSA-N
Molecular Formula C17H18N2O2S2
Exact Mass 346.467 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CDAKGQIKEQOXFO-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/CDAKGQIKEQOXFO-UHFFFAOYSA-N/CHMO0000630
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • imino-oxo-phenyl-[3-(phenylsulfonimidoyl)-1-bicyclo[1.1.1]pentanyl]-lambda6-sulfane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926381 pubchem
    WUFKUG CCDC
    The data in this table is sourced from UniChem at EBI.