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[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-(3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate

View entire compound with spectra: 1 MS (GC)

[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-(3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate
SpectraBase Compound ID BivwGwPuWZr
InChI InChI=1S/C19H30BrNO2/c1-12(2)15-8-7-13(3)11-17(15)23-19(22)21-10-9-14-5-4-6-16(20)18(14)21/h6,12-15,17-18H,4-5,7-11H2,1-3H3/t13-,14+,15+,17-,18-/m1/s1
InChIKey ZUBAGEXPUGTCME-MISMHTLLSA-N
Mol Weight 384.36 g/mol
Molecular Formula C19H30BrNO2
Exact Mass 383.145992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6h2aRpRjzV
Name [1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-(3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30BrNO2
InChI InChI=1S/C19H30BrNO2/c1-12(2)15-8-7-13(3)11-17(15)23-19(22)21-10-9-14-5-4-6-16(20)18(14)21/h6,12-15,17-18H,4-5,7-11H2,1-3H3/t13-,14+,15+,17-,18-/m1/s1
InChIKey ZUBAGEXPUGTCME-MISMHTLLSA-N
Molecular Weight 384.358 g/mol
SMILES C(N1[C@]2(C(=CCC[C@@]2([H])CC1)Br)[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-014i-0900000000-b895f492a7a0483561d3
Source of Spectrum J-65-4249-29
Synonyms (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate (3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]ester (3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ester [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl](3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl](3aS,7aR)-7-bromanyl-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl](3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate (3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3aS,7aR)-7-bromo-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3aS,7aR)-7-bromanyl-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
Wiley ID 1532693