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(2S,2'R)-N-(Tert-butoxycarbonyl)-2-(((2'-methoxy-2'-(trifluoromethyl)-2'-phenylacetyl)oxy)methyl)pyrrolidine
SpectraBase Compound ID 1gIFatzJBYp
InChI InChI=1S/C20H26F3NO5/c1-18(2,3)29-17(26)24-12-8-11-15(24)13-28-16(25)19(27-4,20(21,22)23)14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3/t15-,19+/m0/s1
InChIKey QPUJDWKANDRMKH-HNAYVOBHSA-N
Mol Weight 417.43 g/mol
Molecular Formula C20H26F3NO5
Exact Mass 417.176307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1JFdNDRkIc
Name (2S,2'R)-N-(Tert-butoxycarbonyl)-2-(((2'-methoxy-2'-(trifluoromethyl)-2'-phenylacetyl)oxy)methyl)pyrrolidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.176307425 u
Formula C20H26F3NO5
InChI InChI=1S/C20H26F3NO5/c1-18(2,3)29-17(26)24-12-8-11-15(24)13-28-16(25)19(27-4,20(21,22)23)14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3/t15-,19+/m0/s1
InChIKey QPUJDWKANDRMKH-HNAYVOBHSA-N
Molecular Weight 417.425 g/mol
SMILES C(N1[C@](COC([C@@](C(F)(F)F)(C2=CC=CC=C2)OC)=O)(CCC1)[H])(OC(C)(C)C)=O