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4-[(E)-({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]phenol
SpectraBase Compound ID LaC6aYI2hOF
InChI InChI=1S/C10H7ClF2N4OS/c11-10(12,13)8-15-16-9(19)17(8)14-5-6-1-3-7(18)4-2-6/h1-5,18H,(H,16,19)/b14-5+
InChIKey IQUOXPYJSFJFTM-LHHJGKSTSA-N
Mol Weight 304.7 g/mol
Molecular Formula C10H7ClF2N4OS
Exact Mass 303.999716 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1dX3GAlhtHm
Name 4-[(E)-({3-[chloro(difluoro)methyl]-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/C10H7ClF2N4OS/c11-10(12,13)8-15-16-9(19)17(8)14-5-6-1-3-7(18)4-2-6/h1-5,18H,(H,16,19)/b14-5+
InChIKey IQUOXPYJSFJFTM-LHHJGKSTSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_29805
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: 1279637; SBI_ID: SBI-029809
Synonyms 4-[({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]phenol
Temperature 303 °C