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Diethyl 1-benzyl-4-oxo-azetidine-2,2-dicarboxylate

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

Diethyl 1-benzyl-4-oxo-azetidine-2,2-dicarboxylate
SpectraBase Compound ID 7eqBvWDhG56
InChI InChI=1S/C16H19NO5/c1-3-21-14(19)16(15(20)22-4-2)10-13(18)17(16)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey RQAHYNAQWHFDIS-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 69eoTgaYL1I
Name Diethyl 1-benzyl-4-oxoazetidine-2,2-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.126322711 u
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-3-21-14(19)16(15(20)22-4-2)10-13(18)17(16)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey RQAHYNAQWHFDIS-UHFFFAOYSA-N
Molecular Weight 305.330 g/mol
SMILES C1(N(C(C1)=O)CC=1C=CC=CC1)(C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970489