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(3S,4R)-1-Benzyl-4-vinyl-pyrrolidin-3-yl-(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

View entire compound with spectra: 2 NMR

(3S,4R)-1-Benzyl-4-vinyl-pyrrolidin-3-yl-(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID B8NoRLWRPbf
InChI InChI=1S/C23H24F3NO3/c1-3-18-15-27(14-17-10-6-4-7-11-17)16-20(18)30-21(28)22(29-2,23(24,25)26)19-12-8-5-9-13-19/h3-13,18,20H,1,14-16H2,2H3/t18-,20-,22-/m1/s1
InChIKey CJGPUIBMJBCWHZ-SYYKKAFVSA-N
Mol Weight 419.44 g/mol
Molecular Formula C23H24F3NO3
Exact Mass 419.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bmdQ5U8TBi
Name (3S,4R)-1-Benzyl-4-vinyl-pyrrolidin-3-yl-(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.170828123 u
Formula C23H24F3NO3
InChI InChI=1S/C23H24F3NO3/c1-3-18-15-27(14-17-10-6-4-7-11-17)16-20(18)30-21(28)22(29-2,23(24,25)26)19-12-8-5-9-13-19/h3-13,18,20H,1,14-16H2,2H3/t18-,20-,22-/m1/s1
InChIKey CJGPUIBMJBCWHZ-SYYKKAFVSA-N
Molecular Weight 419.444 g/mol
SMILES C1N(C[C@]([C@@]1(OC(=O)[C@@](OC)(C(F)(F)F)C1=CC=CC=C1)[H])(C=C)[H])CC1=CC=CC=C1