Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H22O2/c1-13(2)19(21)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(22)14(3)4/h5-14H,1-4H3
SMILES CC(C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)C(C)C)C
InChI Key MRSISTCHAYIPPB-UHFFFAOYSA-N
Molecular Formula C20H22O2
Exact Mass 294.387 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRSISTCHAYIPPB-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/MRSISTCHAYIPPB-UHFFFAOYSA-N/CHMO0000630
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 2-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]phenyl]propan-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12418688 surechembl
    46706841 pubchem
    The data in this table is sourced from UniChem at EBI.