Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H20O3/c1-11-7-5-6-8-15(11)9-16-10-17-14(4)18(21)12(2)13(3)19(17)23-20(16)22/h5-8,10,21H,9H2,1-4H3
SMILES Cc1ccccc1Cc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key YMIVMZWPBGUNRO-UHFFFAOYSA-N
Molecular Formula C20H20O3
Exact Mass 308.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMIVMZWPBGUNRO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YMIVMZWPBGUNRO-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 6-hydroxy-5,7,8-trimethyl-3-[(2-methylphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50434876 BindingDB
    ZINC000096270878 ZINC
    71682797 PubChem
    CHEMBL2387539 ChEMBL
    The data in this table is sourced from UniChem at EBI.