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4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid

View entire compound with spectra: 2 NMR

4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid
SpectraBase Compound ID FVvCCwUuRyp
InChI InChI=1S/C28H25N3O6/c1-17-5-4-6-22(13-17)31-27(33)23(18(2)30-31)14-19-7-12-24(25(15-19)36-3)37-16-26(32)29-21-10-8-20(9-11-21)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)/b23-14-
InChIKey CGXWVEYEXRMGON-UCQKPKSFSA-N
Mol Weight 499.52 g/mol
Molecular Formula C28H25N3O6
Exact Mass 499.174336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14gVvReksCU
Name 4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.174335531 u
Formula C28H25N3O6
InChI InChI=1S/C28H25N3O6/c1-17-5-4-6-22(13-17)31-27(33)23(18(2)30-31)14-19-7-12-24(25(15-19)36-3)37-16-26(32)29-21-10-8-20(9-11-21)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)/b23-14-
InChIKey CGXWVEYEXRMGON-UCQKPKSFSA-N
Molecular Weight 499.523 g/mol
SMILES N(C(COC1=CC=C(\C=C/2C(N(C3=CC(C)=CC=C3)N=C2C)=O)C=C1OC)=O)C1=CC=C(C(=O)O)C=C1