Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1Br)C
InChI Key MTAGIJZTHYEKKP-UHFFFAOYSA-N
Molecular Formula C10H12BrNO
Exact Mass 242.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTAGIJZTHYEKKP-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/MTAGIJZTHYEKKP-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-11
Related Molecule
  • 2-bromo-N-propan-2-ylbenzamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13761364 surechembl
    2057512 pubchem
    Molport-001-030-582 molport
    The data in this table is sourced from UniChem at EBI.