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3-isoxazolecarboxylic acid, 5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-(2-fluorophenyl)methylidene]hydrazide

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3-isoxazolecarboxylic acid, 5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-(2-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID 32oyQqNRByF
InChI InChI=1S/C21H19BrFN3O6/c1-28-17-13(16(22)18-20(19(17)29-2)31-10-30-18)7-12-8-15(26-32-12)21(27)25-24-9-11-5-3-4-6-14(11)23/h3-6,9,12H,7-8,10H2,1-2H3,(H,25,27)/b24-9+
InChIKey PVQDIYSOPCYSBD-PGGKNCGUSA-N
Mol Weight 508.3 g/mol
Molecular Formula C21H19BrFN3O6
Exact Mass 507.044127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1O6N3IPLlZj
Name 3-isoxazolecarboxylic acid, 5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-(2-fluorophenyl)methylidene]hydrazide
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/C21H19BrFN3O6/c1-28-17-13(16(22)18-20(19(17)29-2)31-10-30-18)7-12-8-15(26-32-12)21(27)25-24-9-11-5-3-4-6-14(11)23/h3-6,9,12H,7-8,10H2,1-2H3,(H,25,27)/b24-9+
InChIKey PVQDIYSOPCYSBD-PGGKNCGUSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5141
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: NMR/17311330; Labnumber: 175