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4,4-Dimethyl-2-(4-methylbenzoyl)pyrazol-3-one

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

4,4-Dimethyl-2-(4-methylbenzoyl)pyrazol-3-one
SpectraBase Compound ID 167q4pY0y6B
InChI InChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)11(16)15-12(17)13(2,3)8-14-15/h4-8H,1-3H3
InChIKey FERUFXYFHMZOJI-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eyjtna3Wa5a
Name 4,4-Dimethyl-2-(4-methylbenzoyl)pyrazol-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.105527697 u
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-9-4-6-10(7-5-9)11(16)15-12(17)13(2,3)8-14-15/h4-8H,1-3H3
InChIKey FERUFXYFHMZOJI-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES C1(N(N=CC1(C)C)C(C=1C=CC(=CC1)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949715