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3-isoxazolecarboxylic acid, 5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-[2-(trifluoromethyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID IBlxWmGXnBx
InChI InChI=1S/C22H19BrF3N3O6/c1-31-17-13(16(23)18(32-2)20-19(17)33-10-34-20)7-12-8-15(29-35-12)21(30)28-27-9-11-5-3-4-6-14(11)22(24,25)26/h3-6,9,12H,7-8,10H2,1-2H3,(H,28,30)/b27-9+
InChIKey FHDBFHIPJWDGSK-OXUBWTJQSA-N
Mol Weight 558.31 g/mol
Molecular Formula C22H19BrF3N3O6
Exact Mass 557.040933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LJKRx6OjUia
Name 3-isoxazolecarboxylic acid, 5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-[2-(trifluoromethyl)phenyl]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/C22H19BrF3N3O6/c1-31-17-13(16(23)18(32-2)20-19(17)33-10-34-20)7-12-8-15(29-35-12)21(30)28-27-9-11-5-3-4-6-14(11)22(24,25)26/h3-6,9,12H,7-8,10H2,1-2H3,(H,28,30)/b27-9+
InChIKey FHDBFHIPJWDGSK-OXUBWTJQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5174
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/17311384; Labnumber: 229