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4-(5-Methyl-4-oxo-pyrazol-3-yl)phenoxyacetic acid N',N''-Dioxide
SpectraBase Compound ID IEBC00XqEfr
InChI InChI=1S/C12H10N2O6/c1-7-12(17)11(14(19)13(7)18)8-2-4-9(5-3-8)20-6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKey PHWULUINTAEKDI-UHFFFAOYSA-N
Mol Weight 278.22 g/mol
Molecular Formula C12H10N2O6
Exact Mass 278.053886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwC6uzTij1W
Name 4-(5-Methyl-4-oxo-pyrazol-3-yl)phenoxyacetic acid N',N''-Dioxide
Alternate Name(s) 3-(4-(carboxymethoxy)phenyl)-5-methyl-4-oxo-4H-pyrazole 1,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O6
InChI InChI=1S/C12H10N2O6/c1-7-12(17)11(14(19)13(7)18)8-2-4-9(5-3-8)20-6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKey PHWULUINTAEKDI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19953281107
Molecular Weight 278.220 g/mol
SMILES OC(COc1ccc(cc1)C1=[N+]([N+](=C(C1=O)C)[O-])[O-])=O
SPLASH splash10-054o-4890000000-4998e9da4254535391a9
Source of Spectrum APC-328-769-31
Wiley ID 1800718