Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H6F3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-
SMILES O/N=C(\C(F)(F)F)/c1ccccc1
InChI Key TUKWYJVGKNCDJJ-GHXNOFRVSA-N
Molecular Formula C8H6F3NO
Exact Mass 189.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUKWYJVGKNCDJJ-GHXNOFRVSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TUKWYJVGKNCDJJ-GHXNOFRVSA-N/IR
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (NZ)-N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000033846629 ZINC
    SCHEMBL7246133 SureChEMBL
    6537078 PubChem
    The data in this table is sourced from UniChem at EBI.