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3-methyl-5-{[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazino}pyrazole-4-carboxylic acid, ethyl ester
SpectraBase Compound ID B0uW6wirNNb
InChI InChI=1S/C17H16N4O4/c1-3-24-17(23)14-10(2)19-21-16(14)20-18-8-11-9-25-13-7-5-4-6-12(13)15(11)22/h4-9H,3H2,1-2H3,(H2,19,20,21)/b18-8+
InChIKey OSMMAHKOHYBXHB-QGMBQPNBSA-N
Mol Weight 340.34 g/mol
Molecular Formula C17H16N4O4
Exact Mass 340.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9499jUk9XWo
Name 3-Methyl-5-{[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazino}pyrazole-4-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.117155007 u
Formula C17H16N4O4
InChI InChI=1S/C17H16N4O4/c1-3-24-17(23)14-10(2)19-21-16(14)20-18-8-11-9-25-13-7-5-4-6-12(13)15(11)22/h4-9H,3H2,1-2H3,(H2,19,20,21)/b18-8+
InChIKey OSMMAHKOHYBXHB-QGMBQPNBSA-N
Molecular Weight 340.339 g/mol
SMILES N(\N=C\C=1C(C=2C=CC=CC2OC1)=O)C1=C(C(=NN1)C)C(OCC)=O