Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H28O3/c1-6-7-8-9-10-15-12-16-18(13(2)3)17(22-5)11-14(4)19(16)23-20(15)21/h11-13H,6-10H2,1-5H3
SMILES CCCCCCc1cc2c(C(C)C)c(OC)cc(c2oc1=O)C
InChI Key QOKJNFWCCDTPFA-UHFFFAOYSA-N
Molecular Formula C20H28O3
Exact Mass 316.435 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOKJNFWCCDTPFA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QOKJNFWCCDTPFA-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-hexyl-6-methoxy-8-methyl-5-propan-2-ylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453609 PubChem
    The data in this table is sourced from UniChem at EBI.