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3-{(4Z)-4-[4-(allyloxy)-2,3-dibromo-5-ethoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID 2M2EA6MEor0
InChI InChI=1S/C23H20Br2N2O5/c1-4-9-32-21-18(31-5-2)12-15(19(24)20(21)25)11-17-13(3)26-27(22(17)28)16-8-6-7-14(10-16)23(29)30/h4,6-8,10-12H,1,5,9H2,2-3H3,(H,29,30)/b17-11-
InChIKey FJNNGPFEUWXIHD-BOPFTXTBSA-N
Mol Weight 564.23 g/mol
Molecular Formula C23H20Br2N2O5
Exact Mass 561.973898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1YZsItsKyWP
Name 3-{(4Z)-4-[4-(allyloxy)-2,3-dibromo-5-ethoxybenzylidene]-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/C23H20Br2N2O5/c1-4-9-32-21-18(31-5-2)12-15(19(24)20(21)25)11-17-13(3)26-27(22(17)28)16-8-6-7-14(10-16)23(29)30/h4,6-8,10-12H,1,5,9H2,2-3H3,(H,29,30)/b17-11-
InChIKey FJNNGPFEUWXIHD-BOPFTXTBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13142
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/9061054; UBI_ID: UBI-013145
Synonyms 3-{4-[4-(allyloxy)-2,3-dibromo-5-ethoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature 308 °C