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5,9-Diallyl-9-hydroxy-3-((S)-1-phenyl-ethyl)-3-aza-bicyclo[3.3.1]nonane-1-carboxylic acid ethyl ester
SpectraBase Compound ID 4YfGdfsRk1N
InChI InChI=1S/C25H35NO3/c1-5-14-23-16-11-17-24(22(27)29-7-3,25(23,28)15-6-2)19-26(18-23)20(4)21-12-9-8-10-13-21/h5-6,8-10,12-13,20,28H,1-2,7,11,14-19H2,3-4H3/t20-,23-,24+,25+/m0/s1
InChIKey KGZGOQMVJZRKDX-MNPDLOSFSA-N
Mol Weight 397.6 g/mol
Molecular Formula C25H35NO3
Exact Mass 397.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RaOEycQulv
Name 5,9-Diallyl-9-hydroxy-3-((S)-1-phenyl-ethyl)-3-aza-bicyclo[3.3.1]nonane-1-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO3
InChI InChI=1S/C25H35NO3/c1-5-14-23-16-11-17-24(22(27)29-7-3,25(23,28)15-6-2)19-26(18-23)20(4)21-12-9-8-10-13-21/h5-6,8-10,12-13,20,28H,1-2,7,11,14-19H2,3-4H3/t20-,23-,24+,25+/m0/s1
InChIKey KGZGOQMVJZRKDX-MNPDLOSFSA-N
Molecular Weight 397.559 g/mol
SMILES O[C@]1([C@]2(CN(C[C@]1(CC=C)CCC2)[C@](c1ccccc1)(C)[H])C(=O)OCC)CC=C
SPLASH splash10-0a4i-2925000000-37bf8d4f8872a14c3613
Source of Spectrum KC-61-5886-20
Synonyms Ethyl (1R*,5R*,9R*/S*)-9-Hydroxy-3-((S)-1-methylbenzyl)-5-(2'-propenyl)-9-(2'-propenyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate Ethyl 5,9-diallyl-9-hydroxy-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.3.1]nonane-1-carboxylate
Wiley ID 1629574