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(7E)-4,8,12-trimethyltrideca-3,7,1-trien-1-yl 2,2-dichloroacetate
SpectraBase Compound ID FfFpNfWlfjM
InChI InChI=1S/C18H28Cl2O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-18(21)17(19)20/h7,10,12-14,17H,5-6,8-9,11H2,1-4H3/b13-7?,15-10+,16-12?
InChIKey MMMJNKYQRKHHLR-IOCNPRCJSA-N
Mol Weight 347.33 g/mol
Molecular Formula C18H28Cl2O2
Exact Mass 346.146636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9I9j0wyTNDD
Name (7E)-4,8,12-trimethyltrideca-3,7,1-trien-1-yl 2,2-dichloroacetate
Appearance Yellowish oil
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Formula C18H28Cl2O2
InChI InChI=1S/C18H28Cl2O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-18(21)17(19)20/h7,10,12-14,17H,5-6,8-9,11H2,1-4H3/b13-7?,15-10+,16-12?
InChIKey MMMJNKYQRKHHLR-IOCNPRCJSA-N
Instrument Name HP 7890A series-5975c
Ionization Type EI
Molecular Weight 347.326 g/mol
SMILES C(C(Cl)Cl)(=O)OC=CC=C(CC\C=C\(CCCC(C)C)C)C
SPLASH splash10-0159-9200000000-27b436ddfbc70579e6f4
Sample Comments E/Z = 75:25
Source of Spectrum WO2015059293A1
Wiley ID 1850602