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(+)-(1R,2R,5S)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
SpectraBase Compound ID 5j7cVkdl3f1
InChI InChI=1S/C26H34N2O3/c1-4-14-27-18-24-25(31-19-20-8-6-5-7-9-20)13-11-22(27)17-28(24)16-21-10-12-23(29-2)15-26(21)30-3/h4-10,12,15,22,24-25H,1,11,13-14,16-19H2,2-3H3/t22-,24+,25+/m0/s1
InChIKey PZPJWFZSIFACIE-ICDZXHCJSA-N
Mol Weight 422.6 g/mol
Molecular Formula C26H34N2O3
Exact Mass 422.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfU9MsRxr3
Name (+)-(1R,2R,5S)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N2O3
InChI InChI=1S/C26H34N2O3/c1-4-14-27-18-24-25(31-19-20-8-6-5-7-9-20)13-11-22(27)17-28(24)16-21-10-12-23(29-2)15-26(21)30-3/h4-10,12,15,22,24-25H,1,11,13-14,16-19H2,2-3H3/t22-,24+,25+/m0/s1
InChIKey PZPJWFZSIFACIE-ICDZXHCJSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/jm801522j
Molecular Weight 422.569 g/mol
Optical Rotation [a]D = +19.2 (c = 0.29, CH2Cl2)
SMILES c1cccc(CO[C@@]2(CC[C@@]3(N(C[C@]2(N(C3)Cc2ccc(cc2OC)OC)[H])CC=C)[H])[H])c1
SPLASH splash10-0uk9-2920500000-28d02f7032d8cddf3de7
Source of Spectrum AF-52-SM9-8b
Thin-Layer Chromatography Rf = 0.02 (CH2Cl2/methanol, 50:1)
Wiley ID 1873856