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4H-1,2,4-triazole-3-thiol, 5-(5-bromo-3-pyridinyl)-4-(5-chloro-2-methoxyphenyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 5-(5-bromo-3-pyridinyl)-4-(5-chloro-2-methoxyphenyl)-
SpectraBase Compound ID JMeeoQFO3lI
InChI InChI=1S/C14H10BrClN4OS/c1-21-12-3-2-10(16)5-11(12)20-13(18-19-14(20)22)8-4-9(15)7-17-6-8/h2-7H,1H3,(H,19,22)
InChIKey FZDHTVWDUVUERR-UHFFFAOYSA-N
Mol Weight 397.68 g/mol
Molecular Formula C14H10BrClN4OS
Exact Mass 395.944723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HTQV6PKIk85
Name 4H-1,2,4-triazole-3-thiol, 5-(5-bromo-3-pyridinyl)-4-(5-chloro-2-methoxyphenyl)-
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/C14H10BrClN4OS/c1-21-12-3-2-10(16)5-11(12)20-13(18-19-14(20)22)8-4-9(15)7-17-6-8/h2-7H,1H3,(H,19,22)
InChIKey FZDHTVWDUVUERR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9798
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: F36325; Labnumber: NNOBK-9737