Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
SMILES S=C(Nc1ccc(cc1)F)Nc1ccc(cc1)F
InChI Key SNQABJUAAUNSEJ-UHFFFAOYSA-N
Molecular Formula C13H10F2N2S
Exact Mass 264.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SNQABJUAAUNSEJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SNQABJUAAUNSEJ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N,N'-bis(4-fluorophenyl)carbamimidothioic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10099725 surechembl
    2826649 pubchem
    PD221134 probes_and_drugs
    MEFLAM CCDC
    DTXSID30385099 comptox
    Molport-000-402-100 molport
    The data in this table is sourced from UniChem at EBI.