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5-oxo-1-[3-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid, tms derivative
SpectraBase Compound ID HW8ZBIEjWXV
InChI InChI=1S/C15H18F3NO3Si/c1-23(2,3)22-14(21)10-7-13(20)19(9-10)12-6-4-5-11(8-12)15(16,17)18/h4-6,8,10H,7,9H2,1-3H3
InChIKey VZEZINCHMJSDPZ-UHFFFAOYSA-N
Mol Weight 345.39 g/mol
Molecular Formula C15H18F3NO3Si
Exact Mass 345.100804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EGAROXHhyC
Name 5-oxo-1-[3-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 345.100804465 u
Formula C15H18F3NO3Si
InChI InChI=1S/C15H18F3NO3Si/c1-23(2,3)22-14(21)10-7-13(20)19(9-10)12-6-4-5-11(8-12)15(16,17)18/h4-6,8,10H,7,9H2,1-3H3
InChIKey VZEZINCHMJSDPZ-UHFFFAOYSA-N
Molecular Weight 345.393 g/mol
SMILES C(F)(F)(F)C1=CC(=CC=C1)N1CC(CC1=O)C(=O)O[Si](C)(C)C