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

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3-isoxazolecarboxylic acid, 5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-3-pyridinylmethylidene]hydrazide
SpectraBase Compound ID IfUuyK5scFD
InChI InChI=1S/C20H19BrN4O6/c1-27-16-13(15(21)17(28-2)19-18(16)29-10-30-19)6-12-7-14(25-31-12)20(26)24-23-9-11-4-3-5-22-8-11/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,24,26)/b23-9+
InChIKey LXUIFHGJHXTQTL-NUGSKGIGSA-N
Mol Weight 491.3 g/mol
Molecular Formula C20H19BrN4O6
Exact Mass 490.048797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vV1ShbVMxt
Name 3-isoxazolecarboxylic acid, 5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-, 2-[(E)-3-pyridinylmethylidene]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/C20H19BrN4O6/c1-27-16-13(15(21)17(28-2)19-18(16)29-10-30-19)6-12-7-14(25-31-12)20(26)24-23-9-11-4-3-5-22-8-11/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,24,26)/b23-9+
InChIKey LXUIFHGJHXTQTL-NUGSKGIGSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5147
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/17311343; Labnumber: 188