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methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate

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methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate
SpectraBase Compound ID Jj7MC4CsKf9
InChI InChI=1S/C12H11N3O4/c1-19-12(16)10-7-11(15(17)18)13-14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey LCYQWJHPXZMIQN-UHFFFAOYSA-N
Mol Weight 261.24 g/mol
Molecular Formula C12H11N3O4
Exact Mass 261.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnNS29dcswb
Name Pyrazole-5-carboxylic acid, 1-benzyl-3-nitro-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O4
InChI InChI=1S/C12H11N3O4/c1-19-12(16)10-7-11(15(17)18)13-14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey LCYQWJHPXZMIQN-UHFFFAOYSA-N
Molecular Weight 261.237 g/mol
SMILES c1c([n](nc1N(=O)=O)Cc1ccccc1)C(OC)=O
SPLASH splash10-0006-9440000000-5e4200b943dd54a24400
Source of Spectrum AD-0-2532-0
Synonyms 2-Benzyl-5-nitro-pyrazole-3-carboxylic acid methyl ester 5-Nitro-2-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester Methyl 1-benzyl-3-nitro-1H-pyrazole-5-carboxylate Methyl 2-benzyl-5-nitro-pyrazole-3-carboxylate Methyl 5-nitro-2-(phenylmethyl)pyrazole-3-carboxylate
Wiley ID 1432810