Dataset

METHYL 4-PHENYL-2-OXO-3-BUTENOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009827 contains the MS mass spectrum of METHYL 4-PHENYL-2-OXO-3-BUTENOATE with the InChIkey ZWDYRZGSCHGREX-BQYQJAHWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H10O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
SMILES COC(=O)C(=O)C=Cc(c1)cccc1
InChI Key ZWDYRZGSCHGREX-BQYQJAHWSA-N
Molecular Formula C11H10O3
Exact Mass 190.063 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-JP009827
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MetadataPublished 2016-01-19
Related Molecule
  • methyl (E)-2-oxo-4-phenylbut-3-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5371810 PubChem
    SCHEMBL2705826 SureChEMBL
    16143147 PubChem: Thomson Pharma
    J1.426.301B Nikkaji
    ZINC000033844892 ZINC
    YIFWAM CCDC
    CB32730366 ChemicalBook
    J354.755H Nikkaji
    The data in this table is sourced from UniChem at EBI.