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(6E,10E)-12-chloro-2,6,10-trimethyl-3-oxododeca-6,10-dienoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(6E,10E)-12-chloro-2,6,10-trimethyl-3-oxododeca-6,10-dienoic acid methyl ester
SpectraBase Compound ID HOCdAIn4K4y
InChI InChI=1S/C16H25ClO3/c1-12(6-5-7-13(2)10-11-17)8-9-15(18)14(3)16(19)20-4/h6,10,14H,5,7-9,11H2,1-4H3/b12-6+,13-10+
InChIKey KUGBNXGBIKIAFT-WAAHFECUSA-N
Mol Weight 300.83 g/mol
Molecular Formula C16H25ClO3
Exact Mass 300.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mJaZFS6SMX
Name (6E,10E)-12-chloro-2,6,10-trimethyl-3-oxododeca-6,10-dienoic acid methyl ester
Alternate Name(s) (6E,10E)-12-chloro-3-keto-2,6,10-trimethyl-dodeca-6,10-dienoic acid methyl ester Methyl (6E,10E)-12-chloranyl-2,6,10-trimethyl-3-oxidanylidene-dodeca-6,10-dienoate Methyl (6E,10E)-12-chloro-2,6,10-trimethyl-3-oxo-dodeca-6,10-dienoate
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Formula C16H25ClO3
InChI InChI=1S/C16H25ClO3/c1-12(6-5-7-13(2)10-11-17)8-9-15(18)14(3)16(19)20-4/h6,10,14H,5,7-9,11H2,1-4H3/b12-6+,13-10+
InChIKey KUGBNXGBIKIAFT-WAAHFECUSA-N
Molecular Weight 300.826 g/mol
SMILES C(C(=O)OC)(C(=O)CC\C(=C\CC\C(=C\CCl)C)C)C
SPLASH splash10-0apl-9600000000-70bc556048872d4f69a1
Source of Spectrum H-78-723-19
Wiley ID 1302798