Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H21NO4/c1-24-20(23)18(21-17-11-6-3-7-12-17)13-8-14-19(22)25-15-16-9-4-2-5-10-16/h2-12,14,18,21H,13,15H2,1H3/b14-8+
SMILES COC(=O)C(Nc1ccccc1)C/C=C/C(=O)OCc1ccccc1
InChI Key LEKAONIXULWCPQ-RIYZIHGNSA-N
Molecular Formula C20H21NO4
Exact Mass 339.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LEKAONIXULWCPQ-RIYZIHGNSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LEKAONIXULWCPQ-RIYZIHGNSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-O-benzyl 6-O-methyl (E)-5-anilinohex-2-enedioate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453466 pubchem
    The data in this table is sourced from UniChem at EBI.