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2-allyl-6-((E)-{[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID 3cIaoQQtdfx
InChI InChI=1S/C18H15ClN4OS/c1-2-5-12-6-3-8-14(16(12)24)11-20-23-17(21-22-18(23)25)13-7-4-9-15(19)10-13/h2-4,6-11,24H,1,5H2,(H,22,25)/b20-11+
InChIKey CRZSRKREOHZDBX-RGVLZGJSSA-N
Mol Weight 370.86 g/mol
Molecular Formula C18H15ClN4OS
Exact Mass 370.06551 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1fYrnBX0kup
Name 2-allyl-6-((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/C18H15ClN4OS/c1-2-5-12-6-3-8-14(16(12)24)11-20-23-17(21-22-18(23)25)13-7-4-9-15(19)10-13/h2-4,6-11,24H,1,5H2,(H,22,25)/b20-11+
InChIKey CRZSRKREOHZDBX-RGVLZGJSSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16565
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: D25013; Labnumber: GRES-03036; SBI_ID: SBI-016568
Synonyms 2-allyl-6-({[3-(3-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 308 °C