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4H-1,2,4-triazole-3-thiol, 4-(5-chloro-2-methoxyphenyl)-5-[(3,5-difluorophenyl)methyl]-
SpectraBase Compound ID IHLUEiucVCd
InChI InChI=1S/C16H12ClF2N3OS/c1-23-14-3-2-10(17)7-13(14)22-15(20-21-16(22)24)6-9-4-11(18)8-12(19)5-9/h2-5,7-8H,6H2,1H3,(H,21,24)
InChIKey JEIMTEBXFPPKSC-UHFFFAOYSA-N
Mol Weight 367.8 g/mol
Molecular Formula C16H12ClF2N3OS
Exact Mass 367.035767 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5f5e454U8mK
Name 4H-1,2,4-triazole-3-thiol, 4-(5-chloro-2-methoxyphenyl)-5-[(3,5-difluorophenyl)methyl]-
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/C16H12ClF2N3OS/c1-23-14-3-2-10(17)7-13(14)22-15(20-21-16(22)24)6-9-4-11(18)8-12(19)5-9/h2-5,7-8H,6H2,1H3,(H,21,24)
InChIKey JEIMTEBXFPPKSC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5828
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: NMR/18217302; Labnumber: OBK-8310