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1H-Pyrazole-3,4-dicarboxylic acid, 5-acetyl-, dimethyl ester
SpectraBase Compound ID 4Fmr2F4jdt1
InChI InChI=1S/C9H10N2O5/c1-4(12)6-5(8(13)15-2)7(11-10-6)9(14)16-3/h1-3H3,(H,10,11)
InChIKey JAOFRTJVKKOFQD-UHFFFAOYSA-N
Mol Weight 226.19 g/mol
Molecular Formula C9H10N2O5
Exact Mass 226.058971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MXbXDD8gHO
Name 1H-Pyrazole-3,4-dicarboxylic acid, 5-acetyl-, dimethyl ester
Alternate Name(s) 3-Acetyl-4,5-di(methoxycarbonyl)pyrazole Dimethyl 5-acetyl-1H-pyrazole-3,4-dicarboxylate
CAS Registry Number 52142-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2O5
InChI InChI=1S/C9H10N2O5/c1-4(12)6-5(8(13)15-2)7(11-10-6)9(14)16-3/h1-3H3,(H,10,11)
InChIKey JAOFRTJVKKOFQD-UHFFFAOYSA-N
Molecular Weight 226.188 g/mol
SMILES [nH]1nc(c(c1C(=O)C)C(=O)OC)C(=O)OC
SPLASH splash10-0006-9000000000-634accee7ba893c8e3d5
Source of Spectrum AJ-59-2860-26
Wiley ID 1226833