Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H16O2/c1-4-5-11-8-12-9(2)6-7-10(3)13(12)16-14(11)15/h6-8H,4-5H2,1-3H3
SMILES CCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key GMBVEWBVZYIJNE-UHFFFAOYSA-N
Molecular Formula C14H16O2
Exact Mass 216.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMBVEWBVZYIJNE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GMBVEWBVZYIJNE-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5,8-dimethyl-3-propylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453827 PubChem
    The data in this table is sourced from UniChem at EBI.