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2-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID 2ds1OHov2a6
InChI InChI=1S/C15H11ClN4OS/c16-12-6-3-5-10(8-12)14-18-19-15(22)20(14)17-9-11-4-1-2-7-13(11)21/h1-9,21H,(H,19,22)/b17-9+
InChIKey HJDJLVIVDLCDEF-RQZCQDPDSA-N
Mol Weight 330.79 g/mol
Molecular Formula C15H11ClN4OS
Exact Mass 330.03421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hyji5Peo9Aj
Name 2-((E)-{[3-(3-chlorophenyl)-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/C15H11ClN4OS/c16-12-6-3-5-10(8-12)14-18-19-15(22)20(14)17-9-11-4-1-2-7-13(11)21/h1-9,21H,(H,19,22)/b17-9+
InChIKey HJDJLVIVDLCDEF-RQZCQDPDSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16559
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: D24996; Labnumber: GRES-03016; SBI_ID: SBI-016562
Synonyms 2-({[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 308 °C