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m-[2-THIO-3-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)UREIDO]BENZOIC ACID, METHYL ESTER
SpectraBase Compound ID 1puLVcgHOQq
InChI InChI=1S/C16H13F3N2O2S/c1-23-14(22)10-5-4-6-11(9-10)20-15(24)21-13-8-3-2-7-12(13)16(17,18)19/h2-9H,1H3,(H2,20,21,24)
InChIKey SFQVYCXYTZQYKV-UHFFFAOYSA-N
Mol Weight 354.35 g/mol
Molecular Formula C16H13F3N2O2S
Exact Mass 354.064983 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SElsHFYxnt
Name m-[2-thio-3-(alpha,alpha,alpha-trifluoro-o-tolyl)ureido]benzoic acid, methyl ester
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Formula C16H13F3N2O2S
InChI InChI=1S/C16H13F3N2O2S/c1-23-14(22)10-5-4-6-11(9-10)20-15(24)21-13-8-3-2-7-12(13)16(17,18)19/h2-9H,1H3,(H2,20,21,24)
InChIKey SFQVYCXYTZQYKV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 55607M
Solvent CDCl3