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

View entire compound with spectra: 2 NMR

benzoic acid, 4-[(4Z)-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 1-methylethyl ester
SpectraBase Compound ID DsJeftgSuDk
InChI InChI=1S/C22H22N2O5/c1-13(2)29-22(27)16-6-8-17(9-7-16)24-21(26)18(14(3)23-24)11-15-5-10-19(25)20(12-15)28-4/h5-13,25H,1-4H3/b18-11-
InChIKey WMFYVEQNLVVPDA-WQRHYEAKSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MUY1K7xbna
Name Benzoic acid, 4-[(4Z)-4,5-dihydro-4-[(4-hydroxy-3-methoxyphenyl)methylene]-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 394.152871811 u
Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-13(2)29-22(27)16-6-8-17(9-7-16)24-21(26)18(14(3)23-24)11-15-5-10-19(25)20(12-15)28-4/h5-13,25H,1-4H3/b18-11-
InChIKey WMFYVEQNLVVPDA-WQRHYEAKSA-N
Molecular Weight 394.427 g/mol
SMILES OC1=CC=C(\C=C/2C(N(C3=CC=C(C(OC(C)C)=O)C=C3)N=C2C)=O)C=C1OC