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3-Methyl-1,3-diphenylazetidine-2,4-dione

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

3-Methyl-1,3-diphenylazetidine-2,4-dione
SpectraBase Compound ID 3aCCs7WNdzq
InChI InChI=1S/C16H13NO2/c1-16(12-8-4-2-5-9-12)14(18)17(15(16)19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey OWTFZLQABNNZII-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IITwmoUfTOu
Name 3-Methyl-1,3-diphenylazetidine-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.094628661 u
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-16(12-8-4-2-5-9-12)14(18)17(15(16)19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey OWTFZLQABNNZII-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES C1(N(C(C1(C1=CC=CC=C1)C)=O)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96846