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3-(4-Fluorophenyl)-6-phenethyl[1,2, 4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID Bl73nQGL2oo
InChI InChI=1S/C17H13FN4S/c18-14-9-7-13(8-10-14)16-19-20-17-22(16)21-15(23-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey BZWOVUNRDRDCAJ-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C17H13FN4S
Exact Mass 324.084496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hbauwyIZEc
Name 3-(4-Fluorophenyl)-6-phenethyl[1,2, 4]triazolo[3,4-b][1,3,4]thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13FN4S
InChI InChI=1S/C17H13FN4S/c18-14-9-7-13(8-10-14)16-19-20-17-22(16)21-15(23-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey BZWOVUNRDRDCAJ-UHFFFAOYSA-N
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 324.377 g/mol
Reported Formula C17H13FN4S
SMILES c1c(ccc(c1)F)-c1nnc2SC(=N[n]12)CCc1ccccc1
SPLASH splash10-00dl-5209000000-928989cd1c8111e177db
Source of Spectrum AF-52-4208-25
Wiley ID 1873608