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2-(6-bromo-3-methylhexa-1,3-dien-1-yl)-1 ,3,3-trimethylcyclohex-1-ene
SpectraBase Compound ID 978MWVjds1t
InChI InChI=1S/C16H25Br/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKey PPXYSKBZMXRMFX-UHFFFAOYSA-N
Mol Weight 297.28 g/mol
Molecular Formula C16H25Br
Exact Mass 296.113964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESVw8ShcDcO
Name 2-(6-bromo-3-methylhexa-1,3-dien-1-yl)-1 ,3,3-trimethylcyclohex-1-ene
Appearance Yellow liquid
Carrier Gas Helium
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Formula C16H25Br
GC Oven Program Oven temp 250oC
InChI InChI=1S/C16H25Br/c1-13(7-6-12-17)9-10-15-14(2)8-5-11-16(15,3)4/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKey PPXYSKBZMXRMFX-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 297.280 g/mol
Quality 190
SMILES C(Br)CC=C(C=CC1=C(CCCC1(C)C)C)C
SPLASH splash10-014l-3910000000-dcc1c8209e0521a752f5
Sample Comments Major isomer
Source of Spectrum WO2023067040A1
Wiley ID 1897225