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4-Bromo-6-{[3-methyl-6-(1-methyl-1-phenylethyl)cyclohexyloxy]carbonyl}-6-azabicyclo[3.2.1]oct-3-ene
SpectraBase Compound ID Br052HxHmzt
InChI InChI=1S/C24H32BrNO2/c1-16-9-11-19(24(2,3)18-7-5-4-6-8-18)22(13-16)28-23(27)26-15-17-10-12-20(25)21(26)14-17/h4-8,12,16-17,19,21-22H,9-11,13-15H2,1-3H3/t16-,17-,19-,21-,22-/m1/s1
InChIKey HKMBYTGWAMAFQS-HUEXKOPYSA-N
Mol Weight 446.4 g/mol
Molecular Formula C24H32BrNO2
Exact Mass 445.161642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0F35NyzaEU
Name 4-Bromo-6-{[3-methyl-6-(1-methyl-1-phenylethyl)cyclohexyloxy]carbonyl}-6-azabicyclo[3.2.1]oct-3-ene
Alternate Name(s) (1R,5R)-4-Bromo-6-{[(1R,2S,5R)-3-methyl-6-(1-methyl-1-phenylethyl)cyclohexyloxy]carbonyl}-6-azabicyclo[3.2.1]oct-3-ene 5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 4-bromo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate (1R,5R)-4-bromo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (1R,5R)-4-bromo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (1R,5R)-4-bromo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (1R,5R)-4-bromanyl-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
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Formula C24H32BrNO2
InChI InChI=1S/C24H32BrNO2/c1-16-9-11-19(24(2,3)18-7-5-4-6-8-18)22(13-16)28-23(27)26-15-17-10-12-20(25)21(26)14-17/h4-8,12,16-17,19,21-22H,9-11,13-15H2,1-3H3/t16-,17-,19-,21-,22-/m1/s1
InChIKey HKMBYTGWAMAFQS-HUEXKOPYSA-N
Molecular Weight 446.429 g/mol
SMILES C(N1[C@]2(C(=CC[C@@](C1)(C2)[H])Br)[H])(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O
SPLASH splash10-0159-3950000000-b8936f011193aa54e5fe
Source of Spectrum KC-0-2177-19
Wiley ID 831308