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(+/-)-(6a.alpha.,6b.beta.,10a.alpha.,10b.alpha.)-6a-(Acetyloxy)-6a,6b,7,8,9,10,10a,10b)octahydro-benzo[3,4]cyclobuta[1,2-c]quinolin-6(5H)-one
SpectraBase Compound ID BKsPq889reR
InChI InChI=1S/C17H19NO3/c1-10(19)21-17-13-8-4-2-6-11(13)15(17)12-7-3-5-9-14(12)18-16(17)20/h3,5,7,9,11,13,15H,2,4,6,8H2,1H3,(H,18,20)/t11-,13-,15+,17-/m0/s1
InChIKey YIHJCMCVWXRJCX-CQPIRRRNSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPA0rqsz7lp
Name (+/-)-(6a.alpha.,6b.beta.,10a.alpha.,10b.alpha.)-6a-(Acetyloxy)-6a,6b,7,8,9,10,10a,10b)octahydro-benzo[3,4]cyclobuta[1,2-c]quinolin-6(5H)-one
Alternate Name(s) (6aS,6bS,10aS,10bR)-6-oxo-5,6b,7,8,9,10,10a,10b-octahydrobenzo[3,4]cyclobuta[1,2-c]quinolin-6a(6H)-yl acetate
CAS Registry Number 137893-39-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-10(19)21-17-13-8-4-2-6-11(13)15(17)12-7-3-5-9-14(12)18-16(17)20/h3,5,7,9,11,13,15H,2,4,6,8H2,1H3,(H,18,20)/t11-,13-,15+,17-/m0/s1
InChIKey YIHJCMCVWXRJCX-CQPIRRRNSA-N
Molecular Weight 285.343 g/mol
SMILES N1c2c([C@@]3([C@](C1=O)([C@@]1([C@@]3(CCCC1)[H])[H])OC(=O)C)[H])cccc2
SPLASH splash10-03di-0910000000-ca5e962079a41a512bd0
Source of Spectrum J-57-604-0
Wiley ID 1289065