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3-(4-tert-butylphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 2 NMR

3-(4-tert-butylphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID IVlOpcox3p7
InChI InChI=1S/C20H19FN4S/c1-20(2,3)15-8-4-14(5-9-15)18-22-23-19-25(18)24-17(12-26-19)13-6-10-16(21)11-7-13/h4-11H,12H2,1-3H3
InChIKey OPQLMKQSVCWCJK-UHFFFAOYSA-N
Mol Weight 366.46 g/mol
Molecular Formula C20H19FN4S
Exact Mass 366.131446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8HyPqJGqsl
Name 3-(4-Tert-butylphenyl)-6-(4-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 366.131445965 u
Formula C20H19FN4S
InChI InChI=1S/C20H19FN4S/c1-20(2,3)15-8-4-14(5-9-15)18-22-23-19-25(18)24-17(12-26-19)13-6-10-16(21)11-7-13/h4-11H,12H2,1-3H3
InChIKey OPQLMKQSVCWCJK-UHFFFAOYSA-N
Molecular Weight 366.458 g/mol
SMILES CC(C1=CC=C(C=2N3N=C(C4=CC=C(C=C4)F)CSC3=NN2)C=C1)(C)C