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4H-Thiazolo[2,3-c][1,2,4]triazin-6(7H)-one, 7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-
SpectraBase Compound ID 4rWlwziwaoU
InChI InChI=1S/C24H16FN3OS/c25-19-13-11-16(12-14-19)15-20-23(29)28-22(18-9-5-2-6-10-18)21(26-27-24(28)30-20)17-7-3-1-4-8-17/h1-15,22H/b20-15+
InChIKey CTIJMAOYFUREBS-HMMYKYKNSA-N
Mol Weight 413.47 g/mol
Molecular Formula C24H16FN3OS
Exact Mass 413.099811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGWm9SaVQEp
Name 4H-Thiazolo[2,3-C][1,2,4]triazin-6(7H)-one, 7-[(4-fluorophenyl)methylidene]-3,4-diphenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.099811483 u
Formula C24H16FN3OS
InChI InChI=1S/C24H16FN3OS/c25-19-13-11-16(12-14-19)15-20-23(29)28-22(18-9-5-2-6-10-18)21(26-27-24(28)30-20)17-7-3-1-4-8-17/h1-15,22H/b20-15+
InChIKey CTIJMAOYFUREBS-HMMYKYKNSA-N
Molecular Weight 413.470 g/mol
SMILES C=1C=CC(C2=NN=C3N(C(\C(=C/C=4C=CC(=CC4)F)S3)=O)C2C2=CC=CC=C2)=CC1