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Benzyl 2-(4'-chloro-2'-oxoazetidin-1'-yl)-acetate

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

Benzyl 2-(4'-chloro-2'-oxoazetidin-1'-yl)-acetate
SpectraBase Compound ID 8F3Qs19c9FV
InChI InChI=1S/C12H12ClNO3/c13-10-6-11(15)14(10)7-12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey QWXYJERHTGROMB-UHFFFAOYSA-N
Mol Weight 253.68 g/mol
Molecular Formula C12H12ClNO3
Exact Mass 253.050571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID XwjxpQrb0I
Name Benzyl 2-(4'-chloro-2'-oxoazetidin-1'-yl)-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.050570947 u
Formula C12H12ClNO3
InChI InChI=1S/C12H12ClNO3/c13-10-6-11(15)14(10)7-12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey QWXYJERHTGROMB-UHFFFAOYSA-N
Molecular Weight 253.685 g/mol
SMILES C1(N(C(C1)Cl)CC(=O)OCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947949