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4H-1,2,4-triazole-3-thiol, 4-(2-bromo-4-methylphenyl)-5-(1-methylethyl)-

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4H-1,2,4-triazole-3-thiol, 4-(2-bromo-4-methylphenyl)-5-(1-methylethyl)-
SpectraBase Compound ID Ji8dpaans3G
InChI InChI=1S/C12H14BrN3S/c1-7(2)11-14-15-12(17)16(11)10-5-4-8(3)6-9(10)13/h4-7H,1-3H3,(H,15,17)
InChIKey LBOCNNDSXLIKJN-UHFFFAOYSA-N
Mol Weight 312.23 g/mol
Molecular Formula C12H14BrN3S
Exact Mass 311.009182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cy4XaNVJ9xz
Name 4H-1,2,4-triazole-3-thiol, 4-(2-bromo-4-methylphenyl)-5-(1-methylethyl)-
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/C12H14BrN3S/c1-7(2)11-14-15-12(17)16(11)10-5-4-8(3)6-9(10)13/h4-7H,1-3H3,(H,15,17)
InChIKey LBOCNNDSXLIKJN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4904
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/17317069; Labnumber: OBK-8179