Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H18O2/c1-13-5-7-14(8-6-13)15-9-10-19-16(11-15)12-17-18(21)3-2-4-20(17)22-19/h5-12,20H,2-4H2,1H3
SMILES Cc1ccc(cc1)c1ccc2c(c1)C=C1C(O2)CCCC1=O
InChI Key LYSZUFSFTGORDT-UHFFFAOYSA-N
Molecular Formula C20H18O2
Exact Mass 290.356 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYSZUFSFTGORDT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LYSZUFSFTGORDT-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-(4-methylphenyl)-2,3,4,4a-tetrahydroxanthen-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453785 PubChem
    The data in this table is sourced from UniChem at EBI.