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4-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenol
SpectraBase Compound ID LB0DXixUbhK
InChI InChI=1S/C16H13ClN4O2S/c1-23-14-7-10(5-6-13(14)22)9-18-21-15(19-20-16(21)24)11-3-2-4-12(17)8-11/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey HSMDYXUOHMYWBJ-GIJQJNRQSA-N
Mol Weight 360.82 g/mol
Molecular Formula C16H13ClN4O2S
Exact Mass 360.044775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CR8qY38mFrW
Name 4-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenol
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/C16H13ClN4O2S/c1-23-14-7-10(5-6-13(14)22)9-18-21-15(19-20-16(21)24)11-3-2-4-12(17)8-11/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey HSMDYXUOHMYWBJ-GIJQJNRQSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16560
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: D24998; Labnumber: GRES-03019; SBI_ID: SBI-016563
Synonyms 4-({[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenol
Temperature 308 °C