Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H10F6N2S/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24)
SMILES S=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)C(F)(F)F
InChI Key ABYZUZQRUYXHCW-UHFFFAOYSA-N
Molecular Formula C15H10F6N2S
Exact Mass 364.309 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABYZUZQRUYXHCW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ABYZUZQRUYXHCW-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1,3-bis[4-(trifluoromethyl)phenyl]thiourea
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9453957 surechembl
    19743454 pubchem
    OMOREQ CCDC
    DTXSID90599478 comptox
    Molport-019-705-468 molport
    The data in this table is sourced from UniChem at EBI.