Dataset

Ethyl 2-cyano-3,3-diphenylacrylate; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU073205 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#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
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-LCSB-LU073205
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MetadataPublished 2020-08-19
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.