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1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid
SpectraBase Compound ID LU14d1ZGj14
InChI InChI=1S/C6H5N3O6/c1-8-4(6(12)13)3(9(14)15)2(7-8)5(10)11/h1H3,(H,10,11)(H,12,13)
InChIKey MJLKEYGTMZKPAL-UHFFFAOYSA-N
Mol Weight 215.12 g/mol
Molecular Formula C6H5N3O6
Exact Mass 215.017835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yDqXMZmPK1
Name 1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid
Alternate Name(s) 1-Methyl-4-nitro-pyrazole-3,5-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N3O6
InChI InChI=1S/C6H5N3O6/c1-8-4(6(12)13)3(9(14)15)2(7-8)5(10)11/h1H3,(H,10,11)(H,12,13)
InChIKey MJLKEYGTMZKPAL-UHFFFAOYSA-N
Molecular Weight 215.121 g/mol
SMILES OC(c1c(c(C(=O)O)n[n]1C)N(=O)=O)=O
SPLASH splash10-0006-9100000000-fce95bb6ddb0c27f7cef
Wiley ID 1511364