4-Bromo-6-{[3-methyl-6-(1-methyl-1-phenylethyl)cyclohexyloxy]carbonyl}-6-azabicyclo[3.2.1]oct-3-ene isomer

SpectraBase Compound ID	Bbns9gB1P79
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-LLZYVPLJSA-N Google Search
Mol Weight	446.4 g/mol
Molecular Formula	C24H32BrNO2
Exact Mass	445.161642 g/mol

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SpectraBase Spectrum ID	AbOgC3poaBe
Name	4-Bromo-6-{[3-methyl-6-(1-methyl-1-phenylethyl)cyclohexyloxy]carbonyl}-6-azabicyclo[3.2.1]oct-3-ene isomer
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-LLZYVPLJSA-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	splash10-00lr-0690000000-c2aaa2f94f73affe29e1
Source of Spectrum	KC-0-2177-20
Synonyms	(1S,5S)-4-Bromo-6-{[(1R,2S,5R)-3-methyl-6-(1-methyl-1-phenylethyl)cyclohexyloxy]carbonyl}-6-azabicyclo[3.2.1]oct-3-ene isomer (1S,5S)-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] (1S,5S)-4-bromo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (1S,5S)-4-bromo-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (1S,5S)-4-bromanyl-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
Wiley ID	831307