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(4E,8E,12E)-4,8,12-trimethylpentadeca-4,8,12-trien-15-olide
SpectraBase Compound ID 7gYGN6EI1S4
InChI InChI=1S/C18H28O2/c1-15-7-4-9-16(2)11-6-14-20-18(19)13-12-17(3)10-5-8-15/h7,10-11H,4-6,8-9,12-14H2,1-3H3/b15-7+,16-11+,17-10+
InChIKey WCTPSEYFNFVEQT-UFGDOSOLSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7ckIK89G3q
Name (4E,8E,12E)-4,8,12-trimethylpentadeca-4,8,12-trien-15-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-15-7-4-9-16(2)11-6-14-20-18(19)13-12-17(3)10-5-8-15/h7,10-11H,4-6,8-9,12-14H2,1-3H3/b15-7+,16-11+,17-10+
InChIKey WCTPSEYFNFVEQT-UFGDOSOLSA-N
Instrument Name Agilent quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00366
Molecular Weight 276.420 g/mol
SMILES C1(CC\C(=C\CC\C(=C\CC\C(=C\CCO1)C)C)C)=O
SPLASH splash10-014l-9400000000-9a63563c5aec8bfe9b6e
Source of Spectrum G4-80-2580-Figure 10D
Synonyms Brassicalactone
Wiley ID 1872295