Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m0/s1
SMILES CC([S@](=O)/N=C/1\CCCC=C1)(C)C
InChI Key ZTBMTQXYLGOKNE-FUWURINLSA-N
Molecular Formula C10H17NOS
Exact Mass 199.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZTBMTQXYLGOKNE-FUWURINLSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZTBMTQXYLGOKNE-FUWURINLSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (NE,S)-N-cyclohex-2-en-1-ylidene-2-methylpropane-2-sulfinamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453459 pubchem
    The data in this table is sourced from UniChem at EBI.