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4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
SpectraBase Compound ID Bm7Emmrw9Cl
InChI InChI=1S/C9H12N2O3/c1-6-5-7(2)11(10-6)8(12)3-4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKey JOJPZJUVODJARC-UHFFFAOYSA-N
Mol Weight 196.21 g/mol
Molecular Formula C9H12N2O3
Exact Mass 196.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gjff6aFkoEc
Name 4-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
Alternate Name(s) 4-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid 4-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid 4-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoic acid 4-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoic acid Butyric acid, 4-(3,5-dimethylpyrazol-1-yl)-4-oxo-
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Formula C9H12N2O3
InChI InChI=1S/C9H12N2O3/c1-6-5-7(2)11(10-6)8(12)3-4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKey JOJPZJUVODJARC-UHFFFAOYSA-N
Molecular Weight 196.206 g/mol
SMILES OC(CCC([n]1nc(C)cc1C)=O)=O
SPLASH splash10-0592-9100000000-1454f2d4fa192a43d3f1
Wiley ID 1437907