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3,7-Dibenzyl-3,7-diaza-bicyclo(3.3.1)nonan-9-one

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

3,7-Dibenzyl-3,7-diaza-bicyclo(3.3.1)nonan-9-one
SpectraBase Compound ID G3Mi5EHIY62
InChI InChI=1S/C21H24N2O/c24-21-19-13-22(11-17-7-3-1-4-8-17)14-20(21)16-23(15-19)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+
InChIKey VDPCIZXWEQHOJC-BGYRXZFFSA-N
Mol Weight 320.44 g/mol
Molecular Formula C21H24N2O
Exact Mass 320.188863 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KQnkbvuUGAJ
Name 3,7-Dibenzyl-3,7-diazabicyclo-[3.3.1]-nonan-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.188863400 u
Formula C21H24N2O
InChI InChI=1S/C21H24N2O/c24-21-19-13-22(11-17-7-3-1-4-8-17)14-20(21)16-23(15-19)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+
InChIKey VDPCIZXWEQHOJC-BGYRXZFFSA-N
Molecular Weight 320.436 g/mol
SMILES C1N(C[C@@]2(C([C@]1(CN(C2)CC1=CC=CC=C1)[H])=O)[H])CC1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.976349