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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rKqjHLyRqz
Name 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 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
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 192.240 g/mol
SMILES N[n]1c(nnc1-c1ccccc1)S
SPLASH splash10-0006-1900000000-0d38e92ff029f0d07aab
Source of Spectrum AF-52-4206-7
Wiley ID 1873609