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4-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID LOi6bEvrAD6
InChI InChI=1S/C17H16N4O2S/c1-2-23-15-5-3-4-13(10-15)16-19-20-17(24)21(16)18-11-12-6-8-14(22)9-7-12/h3-11,22H,2H2,1H3,(H,20,24)/b18-11+
InChIKey ITBOXPWBAJKLFV-WOJGMQOQSA-N
Mol Weight 340.4 g/mol
Molecular Formula C17H16N4O2S
Exact Mass 340.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GRnngx68I9M
Name 4-((E)-{[3-(3-ethoxyphenyl)-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/C17H16N4O2S/c1-2-23-15-5-3-4-13(10-15)16-19-20-17(24)21(16)18-11-12-6-8-14(22)9-7-12/h3-11,22H,2H2,1H3,(H,20,24)/b18-11+
InChIKey ITBOXPWBAJKLFV-WOJGMQOQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16465
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: D25346; Labnumber: GRES-03571; SBI_ID: SBI-016468
Synonyms 4-({[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 318 °C