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4-Amino-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID GTbxOgRNftr
InChI InChI=1S/C13H17FN6S/c14-10-1-3-11(4-2-10)19-7-5-18(6-8-19)9-12-16-17-13(21)20(12)15/h1-4H,5-9,15H2,(H,17,21)
InChIKey SSITXPWHUQMVNK-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C13H17FN6S
Exact Mass 308.121944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4d6cR3CzV
Name 4-Amino-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17FN6S
InChI InChI=1S/C13H17FN6S/c14-10-1-3-11(4-2-10)19-7-5-18(6-8-19)9-12-16-17-13(21)20(12)15/h1-4H,5-9,15H2,(H,17,21)
InChIKey SSITXPWHUQMVNK-UHFFFAOYSA-N
Instrument Name Quattro GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3336
Molecular Weight 308.379 g/mol
SMILES N1C(N(C(CN2CCN(c3ccc(cc3)F)CC2)=N1)N)=S
SPLASH splash10-0089-0902000000-db92e1697facf62e098d
Source of Spectrum Y-55-2756-14
Wiley ID 1878946