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4-{[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)THIO]METHYL}-2-PHENYL-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER

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4-{[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)THIO]METHYL}-2-PHENYL-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER
SpectraBase Compound ID na8nH0g2We
InChI InChI=1S/C21H15F6NO2S2/c1-2-30-19(29)17-16(28-18(32-17)12-6-4-3-5-7-12)11-31-15-9-13(20(22,23)24)8-14(10-15)21(25,26)27/h3-10H,2,11H2,1H3
InChIKey BBGQQGXAHVJTMK-UHFFFAOYSA-N
Mol Weight 491.47 g/mol
Molecular Formula C21H15F6NO2S2
Exact Mass 491.04484 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5qJRgqauHk
Name 4-{[(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)thio]methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester
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Formula C21H15F6NO2S2
InChI InChI=1S/C21H15F6NO2S2/c1-2-30-19(29)17-16(28-18(32-17)12-6-4-3-5-7-12)11-31-15-9-13(20(22,23)24)8-14(10-15)21(25,26)27/h3-10H,2,11H2,1H3
InChIKey BBGQQGXAHVJTMK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 59235M
Solvent CDCl3