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5-Allyl-9-hydroxy-3-((S)-1-phenyl-ethyl)-3-aza-bicyclo[3.3.1]nonane-1-carboxylic acid ethyl ester
SpectraBase Compound ID K8zX5MLY7iw
InChI InChI=1S/C22H31NO3/c1-4-12-21-13-9-14-22(19(21)24,20(25)26-5-2)16-23(15-21)17(3)18-10-7-6-8-11-18/h4,6-8,10-11,17,19,24H,1,5,9,12-16H2,2-3H3/t17-,19-,21+,22+/m0/s1
InChIKey SETNKJVSLQILHE-HVJHZFLKSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lov89dClvV
Name 5-Allyl-9-hydroxy-3-((S)-1-phenyl-ethyl)-3-aza-bicyclo[3.3.1]nonane-1-carboxylic acid ethyl ester
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Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-4-12-21-13-9-14-22(19(21)24,20(25)26-5-2)16-23(15-21)17(3)18-10-7-6-8-11-18/h4,6-8,10-11,17,19,24H,1,5,9,12-16H2,2-3H3/t17-,19-,21+,22+/m0/s1
InChIKey SETNKJVSLQILHE-HVJHZFLKSA-N
Molecular Weight 357.494 g/mol
SMILES O[C@]1([C@]2(CN(C[C@]1(C(=O)OCC)CCC2)[C@](c1ccccc1)(C)[H])CC=C)[H]
SPLASH splash10-0a4l-3927000000-41baddca458c562452bf
Source of Spectrum KC-61-5883-16
Synonyms Ethyl (1R*,5R*,9R*)-9-hydroxy-3-((S)-1-methylbenzyl)-5-(2'-propenyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate Ethyl 5-allyl-9-hydroxy-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.3.1]nonane-1-carboxylate
Wiley ID 1629580