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6-{[m-(TRIFLUOROMETHYL)BENZYL]THIO}-s-TRIAZOLO[4,3-b]PYRIDAZIN-3(2H)-ONE
SpectraBase Compound ID 7ZVqGBNIKqD
InChI InChI=1S/C13H9F3N4OS/c14-13(15,16)9-3-1-2-8(6-9)7-22-11-5-4-10-17-18-12(21)20(10)19-11/h1-6H,7H2,(H,18,21)
InChIKey LFHYTZDZQIPWRG-UHFFFAOYSA-N
Mol Weight 326.3 g/mol
Molecular Formula C13H9F3N4OS
Exact Mass 326.044917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BP383C8p526
Name 6-{[m-(TRIFLUOROMETHYL)BENZYL]THIO}-s-TRIAZOLO[4,3-b]PYRIDAZIN-3(2H)-ONE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F3N4OS
InChI InChI=1S/C13H9F3N4OS/c14-13(15,16)9-3-1-2-8(6-9)7-22-11-5-4-10-17-18-12(21)20(10)19-11/h1-6H,7H2,(H,18,21)
InChIKey LFHYTZDZQIPWRG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 192-193.5C
Molecular Weight 326.30
Solvent DMSO-d6; Reference=TMS; Temperature 297K