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2-(2-Imidazolidinylidene)-1-phenyl-4-penten-1-one

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

2-(2-Imidazolidinylidene)-1-phenyl-4-penten-1-one
SpectraBase Compound ID DbPC0e2IeHA
InChI InChI=1S/C14H16N2O/c1-2-6-12(14-15-9-10-16-14)13(17)11-7-4-3-5-8-11/h2-5,7-8,15-16H,1,6,9-10H2
InChIKey UYIVUSAAIFJRLR-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C14H16N2O
Exact Mass 228.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 94mXh59oyKI
Name 2-(2-Imidazolidinylidene)-1-phenyl-4-penten-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.126263142 u
Formula C14H16N2O
InChI InChI=1S/C14H16N2O/c1-2-6-12(14-15-9-10-16-14)13(17)11-7-4-3-5-8-11/h2-5,7-8,15-16H,1,6,9-10H2
InChIKey UYIVUSAAIFJRLR-UHFFFAOYSA-N
Molecular Weight 228.295 g/mol
SMILES C(=C1NCCN1)(C(=O)C=1C=CC=CC1)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954068