Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C26H32O3/c1-5-6-7-10-13-26(3,4)21-16-23(27)22-15-20(25(28)29-24(22)17-21)14-19-12-9-8-11-18(19)2/h8-9,11-12,15-17,27H,5-7,10,13-14H2,1-4H3
SMILES CCCCCCC(c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccccc1C)(C)C
InChI Key GZGIUENZBHQVIH-UHFFFAOYSA-N
Exact Mass 392.530 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GZGIUENZBHQVIH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/GZGIUENZBHQVIH-UHFFFAOYSA-N/CHMO0000630
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-28T13:07:45Z
Related Molecule
  • 5-hydroxy-7-(2-methyloctan-2-yl)-3-[(2-methylphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4852077 chembl
    164615648 pubchem
    50578429 bindingdb
    The data in this table is sourced from UniChem at EBI.