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4-(4-bromobutyl)-4,5-dimethyl-5-hexen-2-one
SpectraBase Compound ID FyCXr8waIT8
InChI InChI=1S/C12H21BrO/c1-10(2)12(4,9-11(3)14)7-5-6-8-13/h1,5-9H2,2-4H3
InChIKey AVDHWXHWFAGOAO-UHFFFAOYSA-N
Mol Weight 261.2 g/mol
Molecular Formula C12H21BrO
Exact Mass 260.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEMTjXO8QF9
Name 4-(4-bromobutyl)-4,5-dimethyl-5-hexen-2-one
Alternate Name(s) 4-(4-bromobutyl)-4,5-dimethyl-hex-5-en-2-one 8-Bromanyl-4-methyl-4-prop-1-en-2-yl-octan-2-one 8-Bromo-4-isopropenyl-4-methyl-octan-2-one 8-Bromo-4-methyl-4-(1-methylethenyl)-2-octanone 8-Bromo-4-methyl-4-prop-1-en-2-yloctan-2-one
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Formula C12H21BrO
InChI InChI=1S/C12H21BrO/c1-10(2)12(4,9-11(3)14)7-5-6-8-13/h1,5-9H2,2-4H3
InChIKey AVDHWXHWFAGOAO-UHFFFAOYSA-N
Molecular Weight 261.203 g/mol
SMILES C(C(=C)C)(CC(=O)C)(CCCCBr)C
SPLASH splash10-00w9-9800000000-46a5a16324f87199e7f8
Source of Spectrum J-56-3116-17
Wiley ID 1263418