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(S,S)-2,3-Bis(benzyloxymethyl)-1,4-diazabicyclo[2.2.2]octane
SpectraBase Compound ID 3N6Q1tTbJaB
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
Mol Weight 352.48 g/mol
Molecular Formula C22H28N2O2
Exact Mass 352.215078 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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
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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