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(-)-(1R,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
SpectraBase Compound ID DlZogLcn2wu
InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25-/m0/s1
InChIKey IMNBWSFURFCFMF-CAOCKLPOSA-N
Mol Weight 392.5 g/mol
Molecular Formula C25H32N2O2
Exact Mass 392.246378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1s8rwWVqHA
Name (-)-(1R,2S,5S)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
Appearance Yellow oil
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Formula C25H32N2O2
InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25-/m0/s1
InChIKey IMNBWSFURFCFMF-CAOCKLPOSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/jm801522j
Molecular Weight 392.543 g/mol
Optical Rotation [a]D20 = -30.2 (c = 0.35, CH2Cl2)
SMILES c1cccc(CO[C@]2(CC[C@@]3(N(C[C@]2(N(C3)Cc2ccc(cc2)OC)[H])CC=C)[H])[H])c1
SPLASH splash10-006x-2819000000-d5b2d7b0d79ca08e09ca
Source of Spectrum AF-52-SM12-11a
Thin-Layer Chromatography Rf = 0.06 (CH2Cl2/Methanol, 50:1)
Wiley ID 1873829