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1-benzyl-3-nitro-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID DQVgcNzglhh
InChI InChI=1S/C11H9N3O4/c15-11(16)9-6-10(14(17)18)12-13(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)
InChIKey GOCFKHJXPFKGHX-UHFFFAOYSA-N
Mol Weight 247.21 g/mol
Molecular Formula C11H9N3O4
Exact Mass 247.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVL4JEGjp6P
Name Pyrazole-5-carboxylic acid, 1-benzyl-3-nitro-
Alternate Name(s) 1-Benzyl-3-nitro-1H-pyrazole-5-carboxylic acid 2-Benzyl-5-nitro-pyrazole-3-carboxylic acid 5-Nitro-2-(phenylmethyl)-3-pyrazolecarboxylic acid 5-Nitro-2-(phenylmethyl)pyrazole-3-carboxylic acid
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Formula C11H9N3O4
InChI InChI=1S/C11H9N3O4/c15-11(16)9-6-10(14(17)18)12-13(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)
InChIKey GOCFKHJXPFKGHX-UHFFFAOYSA-N
Molecular Weight 247.210 g/mol
SMILES OC(c1cc(n[n]1Cc1ccccc1)N(=O)=O)=O
SPLASH splash10-0006-9220000000-03c32c1a7dd1e1282b73
Source of Spectrum AD-0-2532-0
Wiley ID 1432565