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6-[1,1'-biphenyl]-4-yl-3-(2-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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6-[1,1'-biphenyl]-4-yl-3-(2-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID Iyl4AtTTmAm
InChI InChI=1S/C22H15FN4S/c23-19-9-5-4-8-18(19)21-24-25-22-27(21)26-20(14-28-22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2
InChIKey INIPRPDLYNBMPC-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C22H15FN4S
Exact Mass 386.100146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PDAimC0rPQ
Name 6-[1,1'-Biphenyl]-4-yl-3-(2-fluorophenyl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.100145836 u
Formula C22H15FN4S
InChI InChI=1S/C22H15FN4S/c23-19-9-5-4-8-18(19)21-24-25-22-27(21)26-20(14-28-22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2
InChIKey INIPRPDLYNBMPC-UHFFFAOYSA-N
Molecular Weight 386.448 g/mol
SMILES C=1C=CC(C=2C=CC(C3=NN4C(=NN=C4SC3)C3=C(F)C=CC=C3)=CC2)=CC1