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(1'S,2'R,5'S,1R,5R)or(1'S,2'R,5'S,1R,5S)-(8'-Phenylmenthyl)-3-ethyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate
SpectraBase Compound ID 4cWhsDBGMV7
InChI InChI=1S/C27H39NO3/c1-5-28-17-20-10-9-15-27(18-28,24(20)29)25(30)31-23-16-19(2)13-14-22(23)26(3,4)21-11-7-6-8-12-21/h6-8,11-12,19-20,22-23H,5,9-10,13-18H2,1-4H3/t19-,20+,22-,23-,27-/m0/s1
InChIKey WWQXEJOAFLEVRJ-SOCXJPGISA-N
Mol Weight 425.6 g/mol
Molecular Formula C27H39NO3
Exact Mass 425.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNaQCdSDHq6
Name (1'S,2'R,5'S,1R,5R)or(1'S,2'R,5'S,1R,5S)-(8'-Phenylmenthyl)-3-ethyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate
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Formula C27H39NO3
InChI InChI=1S/C27H39NO3/c1-5-28-17-20-10-9-15-27(18-28,24(20)29)25(30)31-23-16-19(2)13-14-22(23)26(3,4)21-11-7-6-8-12-21/h6-8,11-12,19-20,22-23H,5,9-10,13-18H2,1-4H3/t19-,20+,22-,23-,27-/m0/s1
InChIKey WWQXEJOAFLEVRJ-SOCXJPGISA-N
Literature Reference DOI 10.1016/j.tet.2015.02.083
Molecular Weight 425.613 g/mol
SMILES C(O[C@]1(C[C@@](C)(CC[C@@]1(C(c1ccccc1)(C)C)[H])[H])[H])(=O)[C@@]12CCC[C@@](C2=O)(CN(C1)CC)[H]
SPLASH splash10-014l-1910200000-1027714d2f44ecc32b28
Source of Spectrum F-71-2219-30a,b
Synonyms (1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl (5R)-3-ethyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate
Wiley ID 1802940