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6-((E)-{[4-cyano-3-(methylsulfanyl)-5-isothiazolyl]hydrazono}methyl)-2,3-dimethoxybenzoic acid
SpectraBase Compound ID BpJa4L1bQxt
InChI InChI=1S/C15H14N4O4S2/c1-22-10-5-4-8(11(15(20)21)12(10)23-2)7-17-18-13-9(6-16)14(24-3)19-25-13/h4-5,7,18H,1-3H3,(H,20,21)/b17-7+
InChIKey VFBXBELQKFIXOI-REZTVBANSA-N
Mol Weight 378.42 g/mol
Molecular Formula C15H14N4O4S2
Exact Mass 378.045647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tDEAU3ro4p
Name 6-((E)-{[4-cyano-3-(methylsulfanyl)-5-isothiazolyl]hydrazono}methyl)-2,3-dimethoxybenzoic 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/C15H14N4O4S2/c1-22-10-5-4-8(11(15(20)21)12(10)23-2)7-17-18-13-9(6-16)14(24-3)19-25-13/h4-5,7,18H,1-3H3,(H,20,21)/b17-7+
InChIKey VFBXBELQKFIXOI-REZTVBANSA-N
NMR Offset 18.4928
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_734
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: ZI/8059153; Labnumber: CHUN-0000008; IOH_ID: IOH-000735
Synonyms 6-({[4-cyano-3-(methylsulfanyl)-5-isothiazolyl]hydrazono}methyl)-2,3-dimethoxybenzoic acid
Temperature 297 °C