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N-(p-methylbenzyl)-2-[(alpha,alpha,alpha-trifluoro-m-tolyl)thio]nicotinamide
SpectraBase Compound ID HZLd7efpvU7
InChI InChI=1S/C21H17F3N2OS/c1-14-7-9-15(10-8-14)13-26-19(27)18-6-3-11-25-20(18)28-17-5-2-4-16(12-17)21(22,23)24/h2-12H,13H2,1H3,(H,26,27)
InChIKey BGQMWQXNTCTNJV-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C21H17F3N2OS
Exact Mass 402.101369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LEybVux3GCv
Name N-(p-METHYLBENZYL)-2-[(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)THIO]NICOTINAMIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17F3N2OS
InChI InChI=1S/C21H17F3N2OS/c1-14-7-9-15(10-8-14)13-26-19(27)18-6-3-11-25-20(18)28-17-5-2-4-16(12-17)21(22,23)24/h2-12H,13H2,1H3,(H,26,27)
InChIKey BGQMWQXNTCTNJV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 164-165C
Molecular Weight 402.44
Solvent Polysol; Reference=TMS; Temperature 297K