Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H24O3/c1-6-7-8-9-14-10-15-13(4)16(20-5)11(2)12(3)17(15)21-18(14)19/h10H,6-9H2,1-5H3
SMILES CCCCCc1cc2c(C)c(OC)c(c(c2oc1=O)C)C
InChI Key DIDDVSONGINCED-UHFFFAOYSA-N
Molecular Formula C18H24O3
Exact Mass 288.381 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIDDVSONGINCED-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DIDDVSONGINCED-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 6-methoxy-5,7,8-trimethyl-3-pentylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453826 pubchem
    The data in this table is sourced from UniChem at EBI.