Dataset

Ethyl-2-cyano-3.3-diphenylacrylate; LC-ESI-QTOF; MS2; 90 V

This MassBank record with Accession MSBNK-BAFG-CSL2311108593 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

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311108593
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MetadataPublished 2023-11-10
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.