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(-)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
SpectraBase Compound ID BqelX96txYf
InChI InChI=1S/C25H30N2O/c1-3-15-26-19-25-22(16-20-7-5-4-6-8-20)11-12-23(26)18-27(25)17-21-9-13-24(28-2)14-10-21/h3-10,13-14,16,23,25H,1,11-12,15,17-19H2,2H3/b22-16-/t23-,25+/m0/s1
InChIKey DMIJLPDYIZRQGT-SUVUEDDMSA-N
Mol Weight 374.53 g/mol
Molecular Formula C25H30N2O
Exact Mass 374.235814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WXRTZOlViI
Name (-)-(1S,5S,Z)-6-Allyl-2-benzylidene-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
Appearance Yellow oil
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Formula C25H30N2O
InChI InChI=1S/C25H30N2O/c1-3-15-26-19-25-22(16-20-7-5-4-6-8-20)11-12-23(26)18-27(25)17-21-9-13-24(28-2)14-10-21/h3-10,13-14,16,23,25H,1,11-12,15,17-19H2,2H3/b22-16-/t23-,25+/m0/s1
InChIKey DMIJLPDYIZRQGT-SUVUEDDMSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/jm801522j
Molecular Weight 374.528 g/mol
Optical Rotation [a]D20 = -82.9 (c = 0.73, CH2Cl2)
SMILES C1\C([C@]2(CN([C@@](C1)(CN2Cc1ccc(cc1)OC)[H])CC=C)[H])=C\c1ccccc1
SPLASH splash10-00di-0927000000-caef0731e4a177ca04d7
Source of Spectrum AF-52-SM25-17a
Thin-Layer Chromatography Rf = 0.07 (CH2Cl2/methanol, 50:1)
Wiley ID 1873840