Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H16O3/c1-4-5-15-9-10-6-11(13-2)8-12(7-10)14-3/h4,6-8H,1,5,9H2,2-3H3
SMILES COc1cc(COCC=C)cc(c1)OC
InChI Key RZLWNEQILFBEAY-UHFFFAOYSA-N
Molecular Formula C12H16O3
Exact Mass 208.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RZLWNEQILFBEAY-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RZLWNEQILFBEAY-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1,3-dimethoxy-5-(prop-2-enoxymethyl)benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453500 PubChem
    The data in this table is sourced from UniChem at EBI.