Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H20N2O2S2/c17-21(19,15-5-11(6-15)7-15)13-1-2-14(4-3-13)22(18,20)16-8-12(9-16)10-16/h1-4,11-12,17-18H,5-10H2
SMILES N=S(=O)(C12CC(C1)C2)c1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key KHTYNDFZPPDQOU-UHFFFAOYSA-N
Molecular Formula C16H20N2O2S2
Exact Mass 336.472 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHTYNDFZPPDQOU-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KHTYNDFZPPDQOU-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-[4-(1-bicyclo[1.1.1]pentanylsulfonimidoyl)phenyl]-imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926377 pubchem
    The data in this table is sourced from UniChem at EBI.