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benzoic acid, 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 1-methylethyl ester

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benzoic acid, 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 1-methylethyl ester
SpectraBase Compound ID H40uiskWJ6A
InChI InChI=1S/C24H26N2O5/c1-6-30-21-12-7-17(14-22(21)29-5)13-20-16(4)25-26(23(20)27)19-10-8-18(9-11-19)24(28)31-15(2)3/h7-15H,6H2,1-5H3/b20-13-
InChIKey MXBNOHSCMINPEX-MOSHPQCFSA-N
Mol Weight 422.48 g/mol
Molecular Formula C24H26N2O5
Exact Mass 422.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuPlNVr7ShC
Name Benzoic acid, 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 1-methylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.184171940 u
Formula C24H26N2O5
InChI InChI=1S/C24H26N2O5/c1-6-30-21-12-7-17(14-22(21)29-5)13-20-16(4)25-26(23(20)27)19-10-8-18(9-11-19)24(28)31-15(2)3/h7-15H,6H2,1-5H3/b20-13-
InChIKey MXBNOHSCMINPEX-MOSHPQCFSA-N
Molecular Weight 422.481 g/mol
SMILES C1(\C(C(=NN1C1=CC=C(C(OC(C)C)=O)C=C1)C)=C/C=1C=C(OC)C(=CC1)OCC)=O