Dataset

1-METHOXYCARBONYL-4-(1,5-DIMETHYL-3-OXOHEX-4-ENYL)-CYCLOHEXENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003735 contains the MS mass spectrum of 1-METHOXYCARBONYL-4-(1,5-DIMETHYL-3-OXOHEX-4-ENYL)-CYCLOHEXENE with the InChIkey DEMNMQDWPCIOLA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3
SMILES COC(=O)C(C1)=C([H])CC(C1)C(C)CC(=O)C=C(C)C
InChI Key DEMNMQDWPCIOLA-UHFFFAOYSA-N
Molecular Formula C16H24O3
Exact Mass 264.173 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-JP003735
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-(6-methyl-4-oxohept-5-en-2-yl)cyclohexene-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    557966 pubchem
    The data in this table is sourced from UniChem at EBI.