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3'-(2-METHYL-4-PYRIMIDINYL)-alpha,alpha,alpha-TRIFLUORO-o-TOLUENESULFONANILIDE

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3'-(2-METHYL-4-PYRIMIDINYL)-alpha,alpha,alpha-TRIFLUORO-o-TOLUENESULFONANILIDE
SpectraBase Compound ID JyHVlVU4beC
InChI InChI=1S/C18H14F3N3O2S/c1-12-22-10-9-16(23-12)13-5-4-6-14(11-13)24-27(25,26)17-8-3-2-7-15(17)18(19,20)21/h2-11,24H,1H3
InChIKey QNYFQKRCVABMRF-UHFFFAOYSA-N
Mol Weight 393.38 g/mol
Molecular Formula C18H14F3N3O2S
Exact Mass 393.075882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 843dRkAtwTY
Name 3'-(2-METHYL-4-PYRIMIDINYL)-alpha,alpha,alpha-TRIFLUORO-o-TOLUENESULFONANILIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F3N3O2S
InChI InChI=1S/C18H14F3N3O2S/c1-12-22-10-9-16(23-12)13-5-4-6-14(11-13)24-27(25,26)17-8-3-2-7-15(17)18(19,20)21/h2-11,24H,1H3
InChIKey QNYFQKRCVABMRF-UHFFFAOYSA-N
Melting Point 190-192C
Molecular Weight 393.39
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms o-TOLUENESULFONANILIDE, 3'-(2-METHYL-4-PYRIMIDINYL)-alpha,alpha,alpha-TRIFLUORO-,