Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H20N2S/c1-11-5-12(2)8-15(7-11)18-17(20)19-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3,(H2,18,19,20)
SMILES S=C(Nc1cc(C)cc(c1)C)Nc1cc(C)cc(c1)C
InChI Key BVRKKCXFTRHBLP-UHFFFAOYSA-N
Molecular Formula C17H20N2S
Exact Mass 284.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BVRKKCXFTRHBLP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BVRKKCXFTRHBLP-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N,N'-bis(3,5-dimethylphenyl)carbamimidothioic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15484245 surechembl
    2818746 pubchem
    ACIZAP CCDC
    DTXSID30384784 comptox
    Molport-002-904-947 molport
    The data in this table is sourced from UniChem at EBI.