Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H14F3NO3/c1-12(2,3)20-11(19)17-9-6-4-8(5-7-9)10(18)13(14,15)16/h4-7H,1-3H3,(H,17,19)
SMILES O=C(OC(C)(C)C)Nc1ccc(cc1)C(=O)C(F)(F)F
InChI Key CYTSLQKMHLJSBB-UHFFFAOYSA-N
Molecular Formula C13H14F3NO3
Exact Mass 289.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYTSLQKMHLJSBB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CYTSLQKMHLJSBB-UHFFFAOYSA-N/IR
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • tert-butyl N-[4-(2,2,2-trifluoroacetyl)phenyl]carbamate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29739668 surechembl
    73427421 pubchem
    The data in this table is sourced from UniChem at EBI.