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4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Gg6C0tlQowf
InChI InChI=1S/C8H7FN4S/c9-6-3-1-5(2-4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
InChIKey KFHVTGBJHALSNP-UHFFFAOYSA-N
Mol Weight 210.23 g/mol
Molecular Formula C8H7FN4S
Exact Mass 210.037546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmFf8pj9BT4
Name 4-Amino-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7FN4S
InChI InChI=1S/C8H7FN4S/c9-6-3-1-5(2-4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
InChIKey KFHVTGBJHALSNP-UHFFFAOYSA-N
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 210.230 g/mol
SMILES N[n]1c(nnc1-c1ccc(cc1)F)S
SPLASH splash10-03di-2690000000-52da51871525f3dc3b7d
Source of Spectrum AF-52-4207-13
Wiley ID 1873604