SpectraBase Spectrum ID |
GQmovd56Map |
Name |
(S,S)-2,3-bis(Benzyloxymethyl)-1,4-diazabicyclo[2.2.2]octane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.215078148 u |
Formula |
C22H28N2O2 |
InChI |
InChI=1S/C22H28N2O2/c1-3-7-19(8-4-1)15-25-17-21-22(24-13-11-23(21)12-14-24)18-26-16-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2 |
InChIKey |
UHQZSTSYTQLIPS-UHFFFAOYSA-N |
Molecular Weight |
352.478 g/mol |
SMILES |
C1(C(N2CCN1CC2)COCC1=CC=CC=C1)COCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878191 |