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4-(3-Acetyl-4-phenyl-2-pyrazolin-1-yl)pent-3-en-2-one

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

4-(3-Acetyl-4-phenyl-2-pyrazolin-1-yl)pent-3-en-2-one
SpectraBase Compound ID 4AcHgg1eNMU
InChI InChI=1S/C16H18N2O2/c1-11(9-12(2)19)18-10-15(16(17-18)13(3)20)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3/b11-9+
InChIKey RXHWISQBWPEZKI-PKNBQFBNSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LePGrMPU2ye
Name 4-(3-Acetyl-4-phenyl-2-pyrazolin-1-yl)pent-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.136827826 u
Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-11(9-12(2)19)18-10-15(16(17-18)13(3)20)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3/b11-9+
InChIKey RXHWISQBWPEZKI-PKNBQFBNSA-N
SMILES C1(=NN(CC1C1=CC=CC=C1)\C(=C\C(=O)C)C)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901598