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1-Benzyloxy-3-bromo-4-(6-ethylidene-2,2-dimethylcyclohexylmethyl)-2-methoxybenzene
SpectraBase Compound ID lKUlcuYtE9
InChI InChI=1S/C25H31BrO2/c1-5-19-12-9-15-25(2,3)21(19)16-20-13-14-22(24(27-4)23(20)26)28-17-18-10-7-6-8-11-18/h5-8,10-11,13-14,21H,9,12,15-17H2,1-4H3/b19-5+
InChIKey RJPNVECDJISTCJ-PTXOJBNSSA-N
Mol Weight 443.43 g/mol
Molecular Formula C25H31BrO2
Exact Mass 442.150743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LJmS8AljSz
Name 1-Benzyloxy-3-bromo-4-(6-ethylidene-2,2-dimethylcyclohexylmethyl)-2-methoxybenzene
Alternate Name(s) 1-(benzyloxy)-3-bromo-4-{[(6E)-6-ethylidene-2,2-dimethylcyclohexyl]methyl}-2-methoxybenzene
Comments Less than 3 mono-isotopic peaks
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Formula C25H31BrO2
InChI InChI=1S/C25H31BrO2/c1-5-19-12-9-15-25(2,3)21(19)16-20-13-14-22(24(27-4)23(20)26)28-17-18-10-7-6-8-11-18/h5-8,10-11,13-14,21H,9,12,15-17H2,1-4H3/b19-5+
InChIKey RJPNVECDJISTCJ-PTXOJBNSSA-N
Molecular Weight 443.425 g/mol
SMILES c1(c(c(CC2\C(=C\C)CCCC2(C)C)ccc1OCc1ccccc1)Br)OC
SPLASH splash10-0006-9000500000-fd8765d71fdd1065bf83
Source of Spectrum F4-0-1268-9
Wiley ID 1619532