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2-phenylacetic acid [(1S,2S)-2-(benzyloxycarbonylamino)-3,3,3-trifluoro-1-phenyl-propyl] ester
SpectraBase Compound ID 7L87qIt7eql
InChI InChI=1S/C25H22F3NO4/c26-25(27,28)23(29-24(31)32-17-19-12-6-2-7-13-19)22(20-14-8-3-9-15-20)33-21(30)16-18-10-4-1-5-11-18/h1-15,22-23H,16-17H2,(H,29,31)/t22-,23-/m0/s1
InChIKey KDNDAUFXMYUWSN-GOTSBHOMSA-N
Mol Weight 457.45 g/mol
Molecular Formula C25H22F3NO4
Exact Mass 457.150093 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaPUyyjbThb
Name 2-phenylacetic acid [(1S,2S)-2-(benzyloxycarbonylamino)-3,3,3-trifluoro-1-phenyl-propyl] ester
Compound Number (1-S,2-S)-9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22F3NO4
InChI InChI=1S/C25H22F3NO4/c26-25(27,28)23(29-24(31)32-17-19-12-6-2-7-13-19)22(20-14-8-3-9-15-20)33-21(30)16-18-10-4-1-5-11-18/h1-15,22-23H,16-17H2,(H,29,31)/t22-,23-/m0/s1
InChIKey KDNDAUFXMYUWSN-GOTSBHOMSA-N
Literature Reference Author A.VOLONTERIO,B.VERGANI,M.CRUCIANELLI,M.ZANDA,P.BRAVO
Literature Reference Citation J.ORG.CHEM.,63,7236(1998)
Literature Reference DOI 10.1021/jo980602p
Solvent CDCl3
Source File Reference UWMZ26172