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4,4-Dimethyl-1,2-bis(3-methylphenyl)-3,5-pyrazolidiedione

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

4,4-Dimethyl-1,2-bis(3-methylphenyl)-3,5-pyrazolidiedione
SpectraBase Compound ID GWnbtvlEswv
InChI InChI=1S/C19H20N2O2/c1-13-7-5-9-15(11-13)20-17(22)19(3,4)18(23)21(20)16-10-6-8-14(2)12-16/h5-12H,1-4H3
InChIKey HIYUCRZJGGKALU-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C19H20N2O2
Exact Mass 308.152478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BGjjjEgsvh2
Name 4,4-Dimethyl-1,2-bis(3-methylphenyl)-3,5-pyrazolidiedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.152477890 u
Formula C19H20N2O2
InChI InChI=1S/C19H20N2O2/c1-13-7-5-9-15(11-13)20-17(22)19(3,4)18(23)21(20)16-10-6-8-14(2)12-16/h5-12H,1-4H3
InChIKey HIYUCRZJGGKALU-UHFFFAOYSA-N
Molecular Weight 308.381 g/mol
SMILES C1(N(N(C(C1(C)C)=O)C=1C=C(C)C=CC1)C=1C=C(C)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860484