Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H22O3/c1-5-6-7-8-13-9-14-12(4)15(18)10(2)11(3)16(14)20-17(13)19/h9,18H,5-8H2,1-4H3
SMILES CCCCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key KPXAPSGOGAMFLW-UHFFFAOYSA-N
Molecular Formula C17H22O3
Exact Mass 274.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KPXAPSGOGAMFLW-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KPXAPSGOGAMFLW-UHFFFAOYSA-N/CHMO0000630
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-01
Related Molecule
  • 6-hydroxy-5,7,8-trimethyl-3-pentylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155804309 pubchem
    The data in this table is sourced from UniChem at EBI.