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2,6-dimethoxy-4-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID JmJ1g0oVUuH
InChI InChI=1S/C18H18N4O4S/c1-24-13-6-4-5-12(9-13)17-20-21-18(27)22(17)19-10-11-7-14(25-2)16(23)15(8-11)26-3/h4-10,23H,1-3H3,(H,21,27)/b19-10+
InChIKey KGQFAJSLIHEBLG-VXLYETTFSA-N
Mol Weight 386.43 g/mol
Molecular Formula C18H18N4O4S
Exact Mass 386.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2rSCDGSCdwY
Name 2,6-dimethoxy-4-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C18H18N4O4S/c1-24-13-6-4-5-12(9-13)17-20-21-18(27)22(17)19-10-11-7-14(25-2)16(23)15(8-11)26-3/h4-10,23H,1-3H3,(H,21,27)/b19-10+
InChIKey KGQFAJSLIHEBLG-VXLYETTFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29355
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: D92514; Labnumber: GRES-03337; SBI_ID: SBI-029359
Synonyms 2,6-dimethoxy-4-({[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 308 °C