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4H-Pyrazole, 4,4-diethyl-3-methyl-5-phenyl-, 1,2-dioxide, radical ion(1+)
SpectraBase Compound ID 2UGDFcbxQup
InChI InChI=1S/C14H18N2O2/c1-4-14(5-2)11(3)15(17)16(18)13(14)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKey BWFIKUNUVHWEDW-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C14H18N2O2
Exact Mass 246.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53OUUXPTfkT
Name 4H-Pyrazole, 4,4-diethyl-3-methyl-5-phenyl-, 1,2-dioxide, radical ion(1+)
CAS Registry Number 104410-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O2
InChI InChI=1S/C14H18N2O2/c1-4-14(5-2)11(3)15(17)16(18)13(14)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKey BWFIKUNUVHWEDW-UHFFFAOYSA-N
Molecular Weight 246.310 g/mol
SMILES C1(=[N+]([N+](=C(C1(CC)CC)c1ccccc1)[O-])[O-])C
SPLASH splash10-0ufr-5920000000-eba93658cf0cb3ef2e3e
Source of Spectrum KC-1985-2085-0
Synonyms 4H-Pyrazole, 4,4-diethyl-3-methyl-5-phenyl-, 1,2-dioxide 3-Methyl-4,4-diethyl-5-phenyl-pyrazole-1,2-dioxide 3-Methyl-5-phenyl-4,4-diethyl-4H-pyrazole-1,2-dioxide 3-Phenyl-4,4-diethyl-5-methyl-pyrrazole-1,2-dioxide 4,4-Diethyl-3-methyl-5-phenyl-4H-pyrazole 1,2-dioxide
Wiley ID 1249051