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3,7,11-trimethyl-12-dodecanolide
SpectraBase Compound ID HrwUxjxkafQ
InChI InChI=1S/C15H28O2/c1-12-6-4-8-13(2)10-15(16)17-11-14(3)9-5-7-12/h12-14H,4-11H2,1-3H3
InChIKey DWTWVGCLKGMDFI-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 228R86XAW
Name 3,7,11-trimethyl-12-dodecanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-12-6-4-8-13(2)10-15(16)17-11-14(3)9-5-7-12/h12-14H,4-11H2,1-3H3
InChIKey DWTWVGCLKGMDFI-UHFFFAOYSA-N
Instrument Name Agilent quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00366
Molecular Weight 240.387 g/mol
SMILES C1CC(CCCC(CC(=O)OCC(C)C1)C)C
SPLASH splash10-0aou-9400000000-a275043b1399d01bf298
Source of Spectrum G4-80-2576-Figure 5B
Wiley ID 1872318