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4H-Pyrazole, 3,4,4-trimethyl-5-phenyl-, 1,2-dioxide
SpectraBase Compound ID 2jcLRkBPfOx
InChI InChI=1S/C12H14N2O2/c1-9-12(2,3)11(14(16)13(9)15)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey PCYOFOYMXYCIBS-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VoffrTPxPx
Name 4H-Pyrazole, 3,4,4-trimethyl-5-phenyl-, 1,2-dioxide
Alternate Name(s) 4H-Pyrazole, 3,4,4-trimethyl-5-phenyl-, 1,2-dioxide, radical ion(1+) 3,4,4-trimethyl-5-phenyl-4H-pyrazole 1,2-dioxide 3,4,4-Trimethyl-5-phenyl-pyrazole-1,2-dioxide 3-Methyl-5-phenyl-4,4-dimethyl-4H-pyrazole-1,2-dioxide 3-Phenyl-4,4,5-trimethyl-pyrrazole-1,2-dioxide
CAS Registry Number 105012-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c1-9-12(2,3)11(14(16)13(9)15)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey PCYOFOYMXYCIBS-UHFFFAOYSA-N
Molecular Weight 218.256 g/mol
SMILES C1(=[N+]([N+](=C(C1(C)C)c1ccccc1)[O-])[O-])C
SPLASH splash10-0ufu-3910000000-6869a09a08359b52c936
Source of Spectrum O-21-435-1
Wiley ID 1217551