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4,4-Dimethyl-3,5-diphenyl-4H-pyrazole 1,2-dioxide

View entire compound with spectra: 2 MS (GC)

4,4-Dimethyl-3,5-diphenyl-4H-pyrazole 1,2-dioxide
SpectraBase Compound ID yoaXAIvUbY
InChI InChI=1S/C17H16N2O2/c1-17(2)15(13-9-5-3-6-10-13)18(20)19(21)16(17)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey NQRLNWIYSMOAHK-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6W3fV8X3Tl
Name 4,4-Dimethyl-3,5-diphenyl-4H-pyrazole 1,2-dioxide
CAS Registry Number 104410-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c1-17(2)15(13-9-5-3-6-10-13)18(20)19(21)16(17)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey NQRLNWIYSMOAHK-UHFFFAOYSA-N
Molecular Weight 280.327 g/mol
SMILES CC1(C)C(c2ccccc2)=[N+]([N+](=C1c1ccccc1)[O-])[O-]
SPLASH splash10-0udi-5790000000-57c88bb6d329da2ca147
Source of Spectrum KC-1985-2085-0
Synonyms 3,5-Diphenyl-4,4-dimethyl-pyrazole-1,2-dioxide 4,4-Dimethyl-1,2-dioxido-3,5-diphenylpyrazole-1,2-diium 4,4-Dimethyl-1,2-bis(oxidanidyl)-3,5-diphenyl-pyrazole-1,2-diium
Wiley ID 1284111