Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12FNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccc(cc1)F)C
InChI Key UAYKRRFVQXRMSI-UHFFFAOYSA-N
Molecular Formula C10H12FNO
Exact Mass 181.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UAYKRRFVQXRMSI-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/UAYKRRFVQXRMSI-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-07
Related Molecule
  • 4-fluoro-N-propan-2-ylbenzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2185023 surechembl
    669223 pubchem
    Molport-001-507-428 molport
    The data in this table is sourced from UniChem at EBI.