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N-(3,4-Difluoro-phenyl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
SpectraBase Compound ID 5QGEnO4GFyT
InChI InChI=1S/C11H10F2N4OS/c1-17-6-14-16-11(17)19-5-10(18)15-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,15,18)
InChIKey JVGNPIHJHXCGSM-UHFFFAOYSA-N
Mol Weight 284.28 g/mol
Molecular Formula C11H10F2N4OS
Exact Mass 284.054338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgSm4wAuuRB
Name N-(3,4-Difluoro-phenyl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 284.054338457 u
Formula C11H10F2N4OS
InChI InChI=1S/C11H10F2N4OS/c1-17-6-14-16-11(17)19-5-10(18)15-7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,15,18)
InChIKey JVGNPIHJHXCGSM-UHFFFAOYSA-N
Molecular Weight 284.285 g/mol
SMILES C1=CC(=C(C=C1NC(CSC=1N(C)C=NN1)=O)F)F