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4-amino-5-phenyl-2H-1,2,4-triazole-3-thione

View entire compound with spectra: 6 NMR, 1 FTIR, and 3 MS (GC)

4-amino-5-phenyl-2H-1,2,4-triazole-3-thione
SpectraBase Compound ID Jwu0Q49ed8X
InChI InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)
InChIKey OKNHZPGPLNUEPC-UHFFFAOYSA-N
Mol Weight 192.24 g/mol
Molecular Formula C8H8N4S
Exact Mass 192.046967 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rbdUXq9451
Name 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 438553
CAS Registry Number 22706-11-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N4S
InChI InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)
InChIKey OKNHZPGPLNUEPC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009615