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5-[(methylthio)methyl]-3-{{[m-(trifluoromethyl)benzyl]sulfonyl}methyl}-1,2,4-oxadiazole
SpectraBase Compound ID BJ3WY6Yf7cS
InChI InChI=1S/C13H13F3N2O3S2/c1-22-6-12-17-11(18-21-12)8-23(19,20)7-9-3-2-4-10(5-9)13(14,15)16/h2-5H,6-8H2,1H3
InChIKey QGXKUTNXKUGEBO-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C13H13F3N2O3S2
Exact Mass 366.031969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYrD3sAnE9o
Name 5-[(METHYLTHIO)METHYL]-3-{{[m-(TRIFLUOROMETHYL)BENZYL]SULFONYL}METHYL}-1,2,4-OXADIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3N2O3S2
InChI InChI=1S/C13H13F3N2O3S2/c1-22-6-12-17-11(18-21-12)8-23(19,20)7-9-3-2-4-10(5-9)13(14,15)16/h2-5H,6-8H2,1H3
InChIKey QGXKUTNXKUGEBO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 93-95C
Molecular Weight 366.38
Solvent CDCl3; Reference=TMS; Temperature 297K