Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H8F3N3OS/c14-13(15,16)8-4-1-3-7-10(8)18-19-11(7)17-12(20)9-5-2-6-21-9/h1-6H,(H2,17,18,19,20)
SMILES O=C(c1cccs1)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key MJZYGRRNSQNONW-UHFFFAOYSA-N
Molecular Formula C13H8F3N3OS
Exact Mass 311.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJZYGRRNSQNONW-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/MJZYGRRNSQNONW-UHFFFAOYSA-N/IR.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-06-09
Related Molecule
  • N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91808065 PubChem
    The data in this table is sourced from UniChem at EBI.