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1-(Ethoxycarbonyl)-3-methyl-4-(phenylimino)-1H-pyrazol-5(4H)-one
SpectraBase Compound ID DeODD6i9ejZ
InChI InChI=1S/C13H13N3O3/c1-3-19-13(18)16-12(17)11(9(2)15-16)14-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b14-11-
InChIKey XJNWQFQDAJGMNH-KAMYIIQDSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wta1k6rSG8
Name 1-(Ethoxycarbonyl)-3-methyl-4-(phenylimino)-1H-pyrazol-5(4H)-one
Alternate Name(s) Ethyl (4Z)-3-methyl-5-oxo-4-(phenylimino)-4,5-dihydro-1H-pyrazole-1-carboxylate
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Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-3-19-13(18)16-12(17)11(9(2)15-16)14-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b14-11-
InChIKey XJNWQFQDAJGMNH-KAMYIIQDSA-N
Molecular Weight 259.265 g/mol
SMILES C1(N(N=C(\C1=N/c1ccccc1)C)C(=O)OCC)=O
SPLASH splash10-0a4i-0390000000-efb8758eae3861f735a5
Source of Spectrum F-53-1476-5
Wiley ID 800283