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4-3'-(2",2"-Dimethyl-6''-methylidenecyclohex-3''-enyl)-3'-hydroxy-1'-methylprop-1'-enyl]-1-methylcyclohexan-1-yl p-bromobenzoate

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4-3'-(2",2"-Dimethyl-6''-methylidenecyclohex-3''-enyl)-3'-hydroxy-1'-methylprop-1'-enyl]-1-methylcyclohexan-1-yl p-bromobenzoate
SpectraBase Compound ID 95zwi2l7iRe
InChI InChI=1S/C27H35BrO3/c1-18-7-6-14-26(3,4)24(18)23(29)17-19(2)20-12-15-27(5,16-13-20)31-25(30)21-8-10-22(28)11-9-21/h6,8-11,14,17,20,23-24,29H,1,7,12-13,15-16H2,2-5H3/b19-17+
InChIKey UFLDSLBQJGMADD-HTXNQAPBSA-N
Mol Weight 487.5 g/mol
Molecular Formula C27H35BrO3
Exact Mass 486.176958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpwjbzXofwR
Name 4-3'-(2",2"-Dimethyl-6''-methylidenecyclohex-3''-enyl)-3'-hydroxy-1'-methylprop-1'-enyl]-1-methylcyclohexan-1-yl p-bromobenzoate
Alternate Name(s) 4-3'-(2'',2''-dimethyl-6''-methylidenecyclohex-3''-enyl)-3'-hydroxy-1'-methylprop-1'-enyl]-1-methylcyclohexan-1-yl p-bromobenzoate 4-[(1E)-3-(2,2-dimethyl-6-methylene-3-cyclohexen-1-yl)-3-hydroxy-1-methyl-1-propenyl]-1-methylcyclohexyl 4-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35BrO3
InChI InChI=1S/C27H35BrO3/c1-18-7-6-14-26(3,4)24(18)23(29)17-19(2)20-12-15-27(5,16-13-20)31-25(30)21-8-10-22(28)11-9-21/h6,8-11,14,17,20,23-24,29H,1,7,12-13,15-16H2,2-5H3/b19-17+
InChIKey UFLDSLBQJGMADD-HTXNQAPBSA-N
Molecular Weight 487.478 g/mol
SMILES OC(\C=C\(C1CCC(OC(c2ccc(cc2)Br)=O)(CC1)C)C)C1C(=C)CC=CC1(C)C
SPLASH splash10-05gr-3900000000-9334063c4ecc70dfab4e
Source of Spectrum H-80-691-2
Wiley ID 1396490