Dataset

Ethyl 2-Cyano-3,3-diphenylacrylate; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU502508 contains the MS2 mass spectrum of Ethyl 2-Cyano-3,3-diphenylacrylate with the InChIkey IAJNXBNRYMEYAZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
SMILES CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
InChI Key IAJNXBNRYMEYAZ-UHFFFAOYSA-N
Molecular Formula C18H15NO2
Exact Mass 277.110 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502508
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MetadataPublished 2021-04-20
Related Molecule
  • ethyl 2-cyano-3,3-diphenylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1889451 chembl
    39390 surechembl
    243274 pubchem
    974109G71I fdasrs
    DB20398 drugbank
    PD013693 probes_and_drugs
    Molport-003-915-964 molport
    The data in this table is sourced from UniChem at EBI.