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4,5-Dioxo-1-o-tolyl-2-pyrazoline-3-carboxylic acid, ethyl ester, 4-(o-tolylhydrazone)
SpectraBase Compound ID 3XWPipfcDiq
InChI InChI=1S/C20H20N4O3/c1-4-27-20(26)18-17(22-21-15-11-7-5-9-13(15)2)19(25)24(23-18)16-12-8-6-10-14(16)3/h5-12,21H,4H2,1-3H3/b22-17+
InChIKey IMHVODAGAQRIOC-OQKWZONESA-N
Mol Weight 364.41 g/mol
Molecular Formula C20H20N4O3
Exact Mass 364.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwU2btKeIeq
Name 4,5-Dioxo-1-o-tolyl-2-pyrazoline-3-carboxylic acid, ethyl ester, 4-(o-tolylhydrazone)
Comments Computed using HOSE algorithm
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Exact Mass 364.153540517 u
Formula C20H20N4O3
InChI InChI=1S/C20H20N4O3/c1-4-27-20(26)18-17(22-21-15-11-7-5-9-13(15)2)19(25)24(23-18)16-12-8-6-10-14(16)3/h5-12,21H,4H2,1-3H3/b22-17+
InChIKey IMHVODAGAQRIOC-OQKWZONESA-N
Molecular Weight 364.405 g/mol
SMILES N(C1=CC=CC=C1C)\N=C/1C(=NN(C1=O)C=1C=CC=CC1C)C(=O)OCC