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Benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, ethyl ester
SpectraBase Compound ID A7wF1835BMn
InChI InChI=1S/C13H14N2O3/c1-3-18-13(17)10-4-6-11(7-5-10)15-12(16)8-9(2)14-15/h4-7H,3,8H2,1-2H3
InChIKey MYRBZWVVQLOLBF-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgKD9vOYtIL
Name Benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, ethyl ester
Alternate Name(s) Ethyl 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate 4-(3-Methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid ethyl ester Ethyl 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate Ethyl 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoate
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Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-3-18-13(17)10-4-6-11(7-5-10)15-12(16)8-9(2)14-15/h4-7H,3,8H2,1-2H3
InChIKey MYRBZWVVQLOLBF-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C)CC1=O
SPLASH splash10-0f6t-4590000000-a81d3f2e5adb7290a686
Source of Spectrum JX-2015-1-487
Wiley ID 1721309