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4-Ethyl-3-methyl-3-phenylpyrrolidine-2,5-dione (isomer 1)

View entire compound with spectra: 1 FTIR

4-Ethyl-3-methyl-3-phenylpyrrolidine-2,5-dione (isomer 1)
SpectraBase Compound ID 72JsZWxx45m
InChI InChI=1S/C13H15NO2/c1-3-10-11(15)14-12(16)13(10,2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15,16)
InChIKey WYOMHOATUARGQV-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ac84ClNs4lz
Name 4-Ethyl-3-methyl-3-phenylpyrrolidine-2,5-dione (isomer 1)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.110278725 u
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-3-10-11(15)14-12(16)13(10,2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,15,16)
InChIKey WYOMHOATUARGQV-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C1(NC(C(C1(C)C1=CC=CC=C1)CC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950277