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4-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
SpectraBase Compound ID G3Khd9ryj9l
InChI InChI=1S/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKey OKRDHPPYUAMLIR-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C9H13N3O4
Exact Mass 227.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iH6xjhDYJB
Name 4-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O4
InChI InChI=1S/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKey OKRDHPPYUAMLIR-UHFFFAOYSA-N
Molecular Weight 227.220 g/mol
SMILES OC(CCC[n]1c(c(c(n1)C)N(=O)=O)C)=O
SPLASH splash10-0f6x-9600000000-b8d54d838c846b1cd0ec
Synonyms 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoic acid 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyric acid Butyric acid, 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-
Wiley ID 1440562