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4H-1,2,4-triazole-3-thiol, 4-[[(2-chloro-6-fluorophenyl)methyl]amino]-
SpectraBase Compound ID 82GD9OVZFC
InChI InChI=1S/C9H8ClFN4S/c10-7-2-1-3-8(11)6(7)4-13-15-5-12-14-9(15)16/h1-3,5,13H,4H2,(H,14,16)
InChIKey AGBWNXKUBMKZSW-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C9H8ClFN4S
Exact Mass 258.014223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CbVirIsRnxm
Name 4H-1,2,4-triazole-3-thiol, 4-[[(2-chloro-6-fluorophenyl)methyl]amino]-
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/C9H8ClFN4S/c10-7-2-1-3-8(11)6(7)4-13-15-5-12-14-9(15)16/h1-3,5,13H,4H2,(H,14,16)
InChIKey AGBWNXKUBMKZSW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3621
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: F17987; Labnumber: SPHRAM1-31901