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2-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol

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2-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
SpectraBase Compound ID 6vRbENdcgRx
InChI InChI=1S/C17H14I2N4O2S/c1-2-25-13-5-3-4-10(7-13)16-21-22-17(26)23(16)20-9-11-6-12(18)8-14(19)15(11)24/h3-9,24H,2H2,1H3,(H,22,26)/b20-9+
InChIKey HTMKZEKXBSONSM-AWQFTUOYSA-N
Mol Weight 592.19 g/mol
Molecular Formula C17H14I2N4O2S
Exact Mass 591.892687 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ipyw3feE0wW
Name 2-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
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/C17H14I2N4O2S/c1-2-25-13-5-3-4-10(7-13)16-21-22-17(26)23(16)20-9-11-6-12(18)8-14(19)15(11)24/h3-9,24H,2H2,1H3,(H,22,26)/b20-9+
InChIKey HTMKZEKXBSONSM-AWQFTUOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6733
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: D25375; Labnumber: GRES-03605; SBI_ID: SBI-006736
Synonyms 2-({[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
Temperature 318 °C