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1-Benzyloxy-5-bromo-4-(6-ethylidene-2,2-dimethylcyclohexylmethyl)-2-methoxybenzene
SpectraBase Compound ID 14Yg5j2sORK
InChI InChI=1S/C25H31BrO2/c1-5-19-12-9-13-25(2,3)21(19)14-20-15-23(27-4)24(16-22(20)26)28-17-18-10-7-6-8-11-18/h5-8,10-11,15-16,21H,9,12-14,17H2,1-4H3/b19-5+
InChIKey WPBXCAGZCOGOLU-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 7uIU85708PL
Name 1-Benzyloxy-5-bromo-4-(6-ethylidene-2,2-dimethylcyclohexylmethyl)-2-methoxybenzene
Alternate Name(s) 1-(benzyloxy)-5-bromo-4-{[(6E)-6-ethylidene-2,2-dimethylcyclohexyl]methyl}-2-methoxybenzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31BrO2
InChI InChI=1S/C25H31BrO2/c1-5-19-12-9-13-25(2,3)21(19)14-20-15-23(27-4)24(16-22(20)26)28-17-18-10-7-6-8-11-18/h5-8,10-11,15-16,21H,9,12-14,17H2,1-4H3/b19-5+
InChIKey WPBXCAGZCOGOLU-PTXOJBNSSA-N
Molecular Weight 443.425 g/mol
SMILES C1(Cc2c(cc(c(c2)OC)OCc2ccccc2)Br)\C(=C\C)CCCC1(C)C
SPLASH splash10-052f-0005900000-eea6a03bae8182085f4a
Source of Spectrum F4-0-1268-9
Wiley ID 1619534