Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H14O3/c1-6-7(2)11(14-4)8(3)9(5-12)10(6)13/h5,13H,1-4H3
SMILES COc1c(C)c(C=O)c(c(c1C)C)O
InChI Key TVLALPLXLPFGEN-UHFFFAOYSA-N
Molecular Formula C11H14O3
Exact Mass 194.227 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TVLALPLXLPFGEN-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TVLALPLXLPFGEN-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-hydroxy-5-methoxy-3,4,6-trimethylbenzaldehyde
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11041634 PubChem
    J2.622.330J Nikkaji
    16106580 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.