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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) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTNzUvzMyCj
Name 4-{[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)THIO]METHYL}-2-PHENYL-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 BRUKER AC-300
Melting Point 96-98C
Molecular Weight 491.48
Solvent CDCl3; Reference=TMS; Temperature 297K