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4-{(4Z)-4-[4-(benzoyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID GBMkyzDmtMB
InChI InChI=1S/C26H20N2O6/c1-16-21(24(29)28(27-16)20-11-9-18(10-12-20)25(30)31)14-17-8-13-22(23(15-17)33-2)34-26(32)19-6-4-3-5-7-19/h3-15H,1-2H3,(H,30,31)/b21-14-
InChIKey BPSWRVXHMCJRDA-STZFKDTASA-N
Mol Weight 456.45 g/mol
Molecular Formula C26H20N2O6
Exact Mass 456.132136 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LqxnupNYATu
Name 4-{(4Z)-4-[4-(benzoyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H20N2O6/c1-16-21(24(29)28(27-16)20-11-9-18(10-12-20)25(30)31)14-17-8-13-22(23(15-17)33-2)34-26(32)19-6-4-3-5-7-19/h3-15H,1-2H3,(H,30,31)/b21-14-
InChIKey BPSWRVXHMCJRDA-STZFKDTASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7778
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9012364; UBI_ID: UBI-007781
Synonyms 4-{4-[4-(benzoyloxy)-3-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature 308 °C