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4-(p-CHLOROPHENOXY)-3-NITROTHIOBENZOIC ACID, S-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL) ESTER

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4-(p-CHLOROPHENOXY)-3-NITROTHIOBENZOIC ACID, S-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL) ESTER
SpectraBase Compound ID 4sUrVlPV8r8
InChI InChI=1S/C21H10ClF6NO4S/c22-14-2-4-15(5-3-14)33-18-6-1-11(7-17(18)29(31)32)19(30)34-16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-10H
InChIKey UAFDESYBJJEOMG-UHFFFAOYSA-N
Mol Weight 521.82 g/mol
Molecular Formula C21H10ClF6NO4S
Exact Mass 520.992326 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OPRBPo6jES
Name 4-(p-chlorophenoxy)-3-nitrothiobenzoic acid, S-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)ester
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Formula C21H10ClF6NO4S
InChI InChI=1S/C21H10ClF6NO4S/c22-14-2-4-15(5-3-14)33-18-6-1-11(7-17(18)29(31)32)19(30)34-16-9-12(20(23,24)25)8-13(10-16)21(26,27)28/h1-10H
InChIKey UAFDESYBJJEOMG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56782M
Solvent CDCl3