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2-{{[m-(trifluoromethyl)benzyl]sulfonyl}methyl}-4-thiazolecarboxylic acid, ethyl ester
SpectraBase Compound ID Fqc9YUdhdQC
InChI InChI=1S/C15H14F3NO4S2/c1-2-23-14(20)12-7-24-13(19-12)9-25(21,22)8-10-4-3-5-11(6-10)15(16,17)18/h3-7H,2,8-9H2,1H3
InChIKey JTFXVKOEJOHCAB-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C15H14F3NO4S2
Exact Mass 393.031635 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TiLotTJp2W
Name 2-{{[m-(trifluoromethyl)benzyl]sulfonyl}methyl}-4-thiazolecarboxylic acid, ethyl ester
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Formula C15H14F3NO4S2
InChI InChI=1S/C15H14F3NO4S2/c1-2-23-14(20)12-7-24-13(19-12)9-25(21,22)8-10-4-3-5-11(6-10)15(16,17)18/h3-7H,2,8-9H2,1H3
InChIKey JTFXVKOEJOHCAB-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 57449M
Solvent CDCl3