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1-[3-(Trifluoromethyl)phenyl]sulfonylisonipecotic acid, trimethylsilyl ester

View entire compound with spectra: 1 NMR

1-[3-(Trifluoromethyl)phenyl]sulfonylisonipecotic acid, trimethylsilyl ester
SpectraBase Compound ID 7HJwzhcwQkX
InChI InChI=1S/C16H22F3NO4SSi/c1-26(2,3)24-15(21)12-7-9-20(10-8-12)25(22,23)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,7-10H2,1-3H3
InChIKey UWWMETULJPCQEM-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C16H22F3NO4SSi
Exact Mass 409.09909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JtQY4ywCAr
Name 1-[3-(Trifluoromethyl)phenyl]sulfonylisonipecotic acid, trimethylsilyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.099090386 u
Formula C16H22F3NO4SSi
InChI InChI=1S/C16H22F3NO4SSi/c1-26(2,3)24-15(21)12-7-9-20(10-8-12)25(22,23)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,7-10H2,1-3H3
InChIKey UWWMETULJPCQEM-UHFFFAOYSA-N
Molecular Weight 409.495 g/mol
SMILES C(F)(F)(F)C1=CC(=CC=C1)S(=O)(=O)N1CCC(CC1)C(=O)O[Si](C)(C)C