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3-isoxazolecarboxylic acid, 5-[[6-[(E)-[(aminocarbonothioyl)hydrazono]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl]-4,5-dihydro-, ethyl ester

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3-isoxazolecarboxylic acid, 5-[[6-[(E)-[(aminocarbonothioyl)hydrazono]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl]-4,5-dihydro-, ethyl ester
SpectraBase Compound ID 85NL7k6ss1t
InChI InChI=1S/C18H22N4O7S/c1-4-26-17(23)12-6-9(29-22-12)5-10-11(7-20-21-18(19)30)14(25-3)16-15(13(10)24-2)27-8-28-16/h7,9H,4-6,8H2,1-3H3,(H3,19,21,30)/b20-7+
InChIKey BLNXHKOIXRMBPO-IFRROFPPSA-N
Mol Weight 438.46 g/mol
Molecular Formula C18H22N4O7S
Exact Mass 438.12092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BnB0K8HnQJu
Name 3-isoxazolecarboxylic acid, 5-[[6-[(E)-[(aminocarbonothioyl)hydrazono]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl]-4,5-dihydro-, ethyl ester
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/C18H22N4O7S/c1-4-26-17(23)12-6-9(29-22-12)5-10-11(7-20-21-18(19)30)14(25-3)16-15(13(10)24-2)27-8-28-16/h7,9H,4-6,8H2,1-3H3,(H3,19,21,30)/b20-7+
InChIKey BLNXHKOIXRMBPO-IFRROFPPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5184
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/17311403; Labnumber: 248