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4-{(4E)-4-[3-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID E3YxATpl67
InChI InChI=1S/C24H24N2O7/c1-4-31-21-13-16(6-11-20(21)33-14-22(27)32-5-2)12-19-15(3)25-26(23(19)28)18-9-7-17(8-10-18)24(29)30/h6-13H,4-5,14H2,1-3H3,(H,29,30)/b19-12+
InChIKey CXBATTBZRQKPCH-XDHOZWIPSA-N
Mol Weight 452.46 g/mol
Molecular Formula C24H24N2O7
Exact Mass 452.158351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ZaLBaQw27i
Name 4-{(4E)-4-[3-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzylidene]-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/C24H24N2O7/c1-4-31-21-13-16(6-11-20(21)33-14-22(27)32-5-2)12-19-15(3)25-26(23(19)28)18-9-7-17(8-10-18)24(29)30/h6-13H,4-5,14H2,1-3H3,(H,29,30)/b19-12+
InChIKey CXBATTBZRQKPCH-XDHOZWIPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7126
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/8192043; UBI_ID: UBI-007129
Synonyms 4-{4-[3-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature 313 °C