Dataset

1-BUTYLBICYCLO(3.2.2)NONA-3,6,8-TRIEN-2-ONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004858 contains the MS mass spectrum of 1-BUTYLBICYCLO(3.2.2)NONA-3,6,8-TRIEN-2-ONE with the InChIkey DDONLUKKNZXFPF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16O/c1-2-3-8-13-9-6-11(7-10-13)4-5-12(13)14/h4-7,9-11H,2-3,8H2,1H3
SMILES CCCCC(C(=O)2)(C([H])=1)C([H])=C([H])C(C([H])=C([H])2)C([H])1
InChI Key DDONLUKKNZXFPF-UHFFFAOYSA-N
Molecular Formula C13H16O
Exact Mass 188.120 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-JP004858
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MetadataPublished 2016-01-19
Related Molecule
  • 1-butylbicyclo[3.2.2]nona-3,6,8-trien-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J184.501B Nikkaji
    13734761 PubChem
    The data in this table is sourced from UniChem at EBI.