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(1RS,5SR,6R)-9-Benzyl-6-hydroxy-3-(4-methoxybenzyl)-3,9-diazabicyclo[3.3.1]nonane-2,4-dione
SpectraBase Compound ID ImZ1dEfUi2I
InChI InChI=1S/C22H24N2O4/c1-28-17-9-7-16(8-10-17)14-24-21(26)18-11-12-19(25)20(22(24)27)23(18)13-15-5-3-2-4-6-15/h2-10,18-20,25H,11-14H2,1H3/t18-,19+,20+/m0/s1
InChIKey RXUFBOYMHDVEPQ-IOJLRTSASA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C122VYRWV0O
Name (1RS,5SR,6R)-9-Benzyl-6-hydroxy-3-(4-methoxybenzyl)-3,9-diazabicyclo[3.3.1]nonane-2,4-dione
Appearance Pale yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-28-17-9-7-16(8-10-17)14-24-21(26)18-11-12-19(25)20(22(24)27)23(18)13-15-5-3-2-4-6-15/h2-10,18-20,25H,11-14H2,1H3/t18-,19+,20+/m0/s1
InChIKey RXUFBOYMHDVEPQ-IOJLRTSASA-N
Instrument Name Bruker Micro TOF QII
Ionization Type EI
Literature Reference DOI 10.1002/open.202000188
Molecular Weight 380.444 g/mol
SMILES O[C@]1([C@]2(N([C@@](CC1)(C(N(C2=O)Cc1ccc(cc1)OC)=O)[H])Cc1ccccc1)[H])[H]
SPLASH splash10-006x-9700000000-90474c974b929a659fa6
Source of Spectrum CHO-9-888-37
Thin-Layer Chromatography Rf = 0.26 (cyclohexane/ethyl acetate, 1:1)
Wiley ID 1856349