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(+)-4-{[(1R,4R,5S)-8-Allyl-4-benzyloxy-6,8-diazabicyclo[3.2.2]non-6-yl]methyl}-N,N-diethylbenzamide

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(+)-4-{[(1R,4R,5S)-8-Allyl-4-benzyloxy-6,8-diazabicyclo[3.2.2]non-6-yl]methyl}-N,N-diethylbenzamide
SpectraBase Compound ID AV4tnAydjIJ
InChI InChI=1S/C29H39N3O2/c1-4-18-31-21-27-28(34-22-24-10-8-7-9-11-24)17-16-26(31)20-32(27)19-23-12-14-25(15-13-23)29(33)30(5-2)6-3/h4,7-15,26-28H,1,5-6,16-22H2,2-3H3/t26-,27+,28-/m1/s1
InChIKey RQGIYXRWNLDULE-OZNIXHKMSA-N
Mol Weight 461.7 g/mol
Molecular Formula C29H39N3O2
Exact Mass 461.304228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jNSOkuybtS
Name (+)-4-{[(1R,4R,5S)-8-Allyl-4-benzyloxy-6,8-diazabicyclo[3.2.2]non-6-yl]methyl}-N,N-diethylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39N3O2
InChI InChI=1S/C29H39N3O2/c1-4-18-31-21-27-28(34-22-24-10-8-7-9-11-24)17-16-26(31)20-32(27)19-23-12-14-25(15-13-23)29(33)30(5-2)6-3/h4,7-15,26-28H,1,5-6,16-22H2,2-3H3/t26-,27+,28-/m1/s1
InChIKey RQGIYXRWNLDULE-OZNIXHKMSA-N
Literature Reference DOI 10.1002/cmdc.200900358
Molecular Weight 461.650 g/mol
SMILES C(c1ccc(cc1)CN1[C@@]2([C@@](CC[C@](C1)(N(C2)CC=C)[H])(OCc1ccccc1)[H])[H])(=O)N(CC)CC
SPLASH splash10-03di-0010900000-a2291ba65d9b17dcbfb5
Source of Spectrum CMC-4-2117-12
Synonyms 4-(((1R,4R,5S)-8-allyl-4-(benzyloxy)-6,8-diazabicyclo[3.2.2]nonan-6-yl)methyl)-N,N-diethylbenzamide
Wiley ID 1771564