Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H20O3/c1-4-23-20(22)17-12-10-15(11-13-17)18(14(2)3)19(21)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
SMILES CCOC(=O)c1ccc(cc1)C(=C(C)C)C(=O)c1ccccc1
InChI Key IAXLQXMTBZSTDT-UHFFFAOYSA-N
Molecular Formula C20H20O3
Exact Mass 308.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IAXLQXMTBZSTDT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IAXLQXMTBZSTDT-UHFFFAOYSA-N/CHMO0000630
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-20
Related Molecule
  • ethyl 4-(3-methyl-1-oxo-1-phenylbut-2-en-2-yl)benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145707043 PubChem
    The data in this table is sourced from UniChem at EBI.