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1,2-diphenyl-trans-4,5-dibromocyclohexene
SpectraBase Compound ID KftNinrAu7e
InChI InChI=1S/C18H16Br2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
InChIKey AMECUMRBLKQGEE-ROUUACIJSA-N
Mol Weight 392.13 g/mol
Molecular Formula C18H16Br2
Exact Mass 389.961877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WqZqDlnjvp
Name 1,2-diphenyl-trans-4,5-dibromocyclohexene
Alternate Name(s) [(4S,5S)-4,5-dibromo-2-phenyl-1-cyclohexen-1-yl]benzene
CAS Registry Number 102367-83-9
Comments Less than 3 mono-isotopic peaks
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Formula C18H16Br2
InChI InChI=1S/C18H16Br2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2/t17-,18-/m0/s1
InChIKey AMECUMRBLKQGEE-ROUUACIJSA-N
Molecular Weight 392.134 g/mol
SMILES C1(=C(C[C@@]([C@](C1)(Br)[H])(Br)[H])c1ccccc1)c1ccccc1
SPLASH splash10-003r-0092000000-df1842a612eebb5bf572
Source of Spectrum J-51-2786-12
Wiley ID 1364630