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4-Cyano-1,2,2-trimethyl-5-phenyl-pyrrole-3-one

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

4-Cyano-1,2,2-trimethyl-5-phenyl-pyrrole-3-one
SpectraBase Compound ID IHbwv4M7s4Z
InChI InChI=1S/C14H14N2O/c1-14(2)13(17)11(9-15)12(16(14)3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey PMRXQEHOVODHRF-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KLQCHoI5xvb
Name 4-Cyano-1,2,2-trimethyl-5-phenyl-pyrrole-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.110613078 u
Formula C14H14N2O
InChI InChI=1S/C14H14N2O/c1-14(2)13(17)11(9-15)12(16(14)3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey PMRXQEHOVODHRF-UHFFFAOYSA-N
Molecular Weight 226.279 g/mol
SMILES C1(=C(N(C)C(C1=O)(C)C)C1=CC=CC=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810849