Dataset

1,6-Bis(acryloyloxy)hexane; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU503201 contains the MS2 mass spectrum of 1,6-Bis(acryloyloxy)hexane with the InChIkey FIHBHSQYSYVZQE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
SMILES C=CC(=O)OCCCCCCOC(=O)C=C
InChI Key FIHBHSQYSYVZQE-UHFFFAOYSA-N
Molecular Formula C12H18O4
Exact Mass 226.120 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-Athens_Univ-AU503201
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MetadataPublished 2021-04-19
Related Molecule
  • 6-prop-2-enoyloxyhexyl prop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1530684 ChEMBL
    J82.105E Nikkaji
    BEFNUY CCDC
    ZINC000002019846 ZINC
    DTXSID9025401 EPA CompTox Dashboard
    15220563 PubChem: Thomson Pharma
    FY751V5MMY FDA SRS
    25644 PubChem
    106717-06-0 ACToR
    13048-33-4 ACToR
    491510 eMolecules
    CB1114704 ChemicalBook
    SCHEMBL33725 SureChEMBL
    The data in this table is sourced from UniChem at EBI.