Dataset

ETHYL 3-PHENYL-2-PROPENOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007350 contains the MS mass spectrum of ETHYL 3-PHENYL-2-PROPENOATE with the InChIkey KBEBGUQPQBELIU-CMDGGOBGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
SMILES CCOC(=O)C=Cc(c1)cccc1
InChI Key KBEBGUQPQBELIU-CMDGGOBGSA-N
Molecular Formula C11H12O2
Exact Mass 176.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007350
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl (E)-3-phenylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:4895 chebi
    CHEMBL318196 chembl
    112445 surechembl
    637758 pubchem
    C023P3M5JJ fdasrs
    PD158441 probes_and_drugs
    BIDMOQ CCDC
    107401 brenda
    140064 brenda
    Molport-001-779-802 molport
    The data in this table is sourced from UniChem at EBI.