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4H-1,2,4-triazole-3-thiol, 4-methyl-5-phenyl-

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4H-1,2,4-triazole-3-thiol, 4-methyl-5-phenyl-
SpectraBase Compound ID 9sdc6Zs0bgd
InChI InChI=1S/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)
InChIKey XGLHJEZLNGXEAZ-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C9H9N3S
Exact Mass 191.051718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4hxDv4ee8P5
Name 4H-1,2,4-triazole-3-thiol, 4-methyl-5-phenyl-
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/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)
InChIKey XGLHJEZLNGXEAZ-UHFFFAOYSA-N
NMR Offset 18.0216
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_900
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/8211049; Labnumber: LP-2180105
Temperature 297 °C