Dataset

Butane-1,4-diyl bis(2-methylprop-2-enoate); ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000804 contains the MS2 mass spectrum of Butane-1,4-diyl bis(2-methylprop-2-enoate) with the InChIkey XOJWAAUYNWGQAU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
SMILES CC(=C)C(=O)OCCCCOC(=O)C(C)=C
InChI Key XOJWAAUYNWGQAU-UHFFFAOYSA-N
Molecular Formula C12H18O4
Exact Mass 226.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000804
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MetadataPublished 2023-05-02
Related Molecule
  • 4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3184875 chembl
    25426 surechembl
    16387 pubchem
    KX6732HE0U fdasrs
    Molport-003-928-313 molport
    The data in this table is sourced from UniChem at EBI.