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(2S,3R)-1-benzyl-3-benzyloxy-4-oxo-azetidine-2-carbaldehyde

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

(2S,3R)-1-benzyl-3-benzyloxy-4-oxo-azetidine-2-carbaldehyde
SpectraBase Compound ID 2oZHbonXf7y
InChI InChI=1S/C18H17NO3/c20-12-16-17(22-13-15-9-5-2-6-10-15)18(21)19(16)11-14-7-3-1-4-8-14/h1-10,12,16-17H,11,13H2/t16-,17-/m1/s1
InChIKey PZXFVZUHQNSOLK-IAGOWNOFSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HqnwO6OSVe9
Name (2S,3R)-1-Benzyl-3-benzyloxy-4-oxo-azetidine-2-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c20-12-16-17(22-13-15-9-5-2-6-10-15)18(21)19(16)11-14-7-3-1-4-8-14/h1-10,12,16-17H,11,13H2/t16-,17-/m1/s1
InChIKey PZXFVZUHQNSOLK-IAGOWNOFSA-N
SMILES C1(N([C@@]([C@]1(OCC=1C=CC=CC1)[H])(C=O)[H])CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964027