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4-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
SpectraBase Compound ID 3IhbkdG9Huk
InChI InChI=1S/C17H15ClN4O3S/c1-24-13-7-10(8-14(25-2)15(13)23)9-19-22-16(20-21-17(22)26)11-5-3-4-6-12(11)18/h3-9,23H,1-2H3,(H,21,26)/b19-9+
InChIKey YVCQTJGIGDSAPX-DJKKODMXSA-N
Mol Weight 390.85 g/mol
Molecular Formula C17H15ClN4O3S
Exact Mass 390.055339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BDhzFSG9F3g
Name 4-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
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/C17H15ClN4O3S/c1-24-13-7-10(8-14(25-2)15(13)23)9-19-22-16(20-21-17(22)26)11-5-3-4-6-12(11)18/h3-9,23H,1-2H3,(H,21,26)/b19-9+
InChIKey YVCQTJGIGDSAPX-DJKKODMXSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16548
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: D24956; Labnumber: GRES-02973; SBI_ID: SBI-016551
Synonyms 4-({[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
Temperature 308 °C