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(-)-(1R,2S,5S)-6-Allyl-8-(4-methoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2]nonane
SpectraBase Compound ID 1VJwEC47hBC
InChI InChI=1S/C24H30N2O2/c1-3-15-25-18-23-24(28-22-7-5-4-6-8-22)14-11-20(25)17-26(23)16-19-9-12-21(27-2)13-10-19/h3-10,12-13,20,23-24H,1,11,14-18H2,2H3/t20-,23+,24-/m0/s1
InChIKey ZXCQUZXULHZGHK-ZTCOLXNVSA-N
Mol Weight 378.52 g/mol
Molecular Formula C24H30N2O2
Exact Mass 378.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 480n1bqj3qw
Name (-)-(1R,2S,5S)-6-Allyl-8-(4-methoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2]nonane
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N2O2
InChI InChI=1S/C24H30N2O2/c1-3-15-25-18-23-24(28-22-7-5-4-6-8-22)14-11-20(25)17-26(23)16-19-9-12-21(27-2)13-10-19/h3-10,12-13,20,23-24H,1,11,14-18H2,2H3/t20-,23+,24-/m0/s1
InChIKey ZXCQUZXULHZGHK-ZTCOLXNVSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1021/jm801522j
Molecular Weight 378.516 g/mol
Optical Rotation [a]D20 = -56.3 (c = 2.9, CH2Cl2)
SMILES [C@@]1(Oc2ccccc2)(CC[C@@]2(N(C[C@]1(N(C2)Cc1ccc(OC)cc1)[H])CC=C)[H])[H]
SPLASH splash10-00fr-0849000000-7e684cdf7a1a907c98a8
Source of Spectrum AF-52-SM20-15a
Thin-Layer Chromatography Rf = 0.11 (CH2Cl2/methanol, 50:1)
Wiley ID 1873837