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2-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
SpectraBase Compound ID FB69PZ6NZ4n
InChI InChI=1S/C16H13ClN4O2S/c1-23-13-8-4-5-10(14(13)22)9-18-21-15(19-20-16(21)24)11-6-2-3-7-12(11)17/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey SXANHRBZMFOPRC-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 4xGioWyiEpu
Name 2-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-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/c1-23-13-8-4-5-10(14(13)22)9-18-21-15(19-20-16(21)24)11-6-2-3-7-12(11)17/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey SXANHRBZMFOPRC-GIJQJNRQSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16513
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: D24878; Labnumber: GRES-02891; SBI_ID: SBI-016516
Synonyms 2-({[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Temperature 308 °C