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2-(6-bromo-3-methylhex-3-en-1-yl)-1,3,3-trimethylcyclohex-1-ene
SpectraBase Compound ID 2e0cjC4Ucix
InChI InChI=1S/C16H27Br/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h7H,5-6,8-12H2,1-4H3
InChIKey JIAOWXWJOBVFLL-UHFFFAOYSA-N
Mol Weight 299.3 g/mol
Molecular Formula C16H27Br
Exact Mass 298.129614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtHvqQCsM2E
Name 2-(6-bromo-3-methylhex-3-en-1-yl)-1,3,3-trimethylcyclohex-1-ene
Appearance Yellow liquid
Carrier Gas Helium
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Exact Mass 298.129613869 u
Formula C16H27Br
GC Oven Program Oven temp 250oC
InChI InChI=1S/C16H27Br/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h7H,5-6,8-12H2,1-4H3
InChIKey JIAOWXWJOBVFLL-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Quality 150
SMILES C(Br)CC=C(CCC1=C(CCCC1(C)C)C)C
SPLASH splash10-000i-8900000000-126a4ce5a488fbf764d3
Sample Comments Major isomer
Source of Spectrum WO2023067040A1
Wiley ID 1897224