Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H22O2/c1-4-5-6-7-8-14-11-15-12(2)9-10-13(3)16(15)19-17(14)18/h9-11H,4-8H2,1-3H3
SMILES CCCCCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key NZOBKJXHRITAJF-UHFFFAOYSA-N
Molecular Formula C17H22O2
Exact Mass 258.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NZOBKJXHRITAJF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NZOBKJXHRITAJF-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-hexyl-5,8-dimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453896 pubchem
    The data in this table is sourced from UniChem at EBI.