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4H-Pyrazole, 4,4-diethyl-3,5-diphenyl-, 1-oxide

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

4H-Pyrazole, 4,4-diethyl-3,5-diphenyl-, 1-oxide
SpectraBase Compound ID APAupJMEtwq
InChI InChI=1S/C19H20N2O/c1-3-19(4-2)17(15-11-7-5-8-12-15)20-21(22)18(19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey SAKRMUWMMHTCRG-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C19H20N2O
Exact Mass 292.157563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9m5bx4eQ6jc
Name 4H-Pyrazole, 4,4-diethyl-3,5-diphenyl-, 1-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.157563271 u
Formula C19H20N2O
InChI InChI=1S/C19H20N2O/c1-3-19(4-2)17(15-11-7-5-8-12-15)20-21(22)18(19)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKey SAKRMUWMMHTCRG-UHFFFAOYSA-N
SMILES C1(=N[N+](=C(C1(CC)CC)C1=CC=CC=C1)[O-])C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933366