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Benzoic acid, 4-(4-nitro-1-pyrazolylmethyl)-
SpectraBase Compound ID EkuKAveqnMh
InChI InChI=1S/C11H9N3O4/c15-11(16)9-3-1-8(2-4-9)6-13-7-10(5-12-13)14(17)18/h1-5,7H,6H2,(H,15,16)
InChIKey RXZUBSJMBVABMA-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 HTyEFoXQdUN
Name Benzoic acid, 4-(4-nitro-1-pyrazolylmethyl)-
Alternate Name(s) 4-[(4-nitro-1-pyrazolyl)methyl]benzoic acid 4-[(4-Nitro-1H-pyrazol-1-yl)methyl]benzoic acid 4-[(4-nitropyrazol-1-yl)methyl]benzoic acid
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Formula C11H9N3O4
InChI InChI=1S/C11H9N3O4/c15-11(16)9-3-1-8(2-4-9)6-13-7-10(5-12-13)14(17)18/h1-5,7H,6H2,(H,15,16)
InChIKey RXZUBSJMBVABMA-UHFFFAOYSA-N
Molecular Weight 247.210 g/mol
SMILES OC(c1ccc(C[n]2cc(N(=O)=O)cn2)cc1)=O
SPLASH splash10-000b-6940000000-69f9533736dc70c4fcf0
Source of Spectrum AD-0-2532-0
Wiley ID 1433933