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2-(R)-[2-(S)-(TERT.-BUTOXYCARBONYLMETHYLAMINO)-3-FLUORO-PROPIONYLAMINO]-3-PHENYL-PROPIONIC-ACID-BENZYLESTER
SpectraBase Compound ID 9rx03SBmcTs
InChI InChI=1S/2C25H31FN2O5/c2*1-25(2,3)33-24(31)28(4)21(16-26)22(29)27-20(15-18-11-7-5-8-12-18)23(30)32-17-19-13-9-6-10-14-19/h2*5-14,20-21H,15-17H2,1-4H3,(H,27,29)/t2*20-,21+/m11/s1
InChIKey KOEGLFHSMOJKFT-KVFZLMDDSA-N
Mol Weight 917.06 g/mol
Molecular Formula C50H62F2N4O10
Exact Mass 916.443401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JE7uZTkQsvH
Name 2-(R)-[2-(S)-(TERT.-BUTOXYCARBONYLMETHYLAMINO)-3-FLUORO-PROPIONYLAMINO]-3-PHENYL-PROPIONIC-ACID-BENZYLESTER
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H62F2N4O10
InChI InChI=1S/2C25H31FN2O5/c2*1-25(2,3)33-24(31)28(4)21(16-26)22(29)27-20(15-18-11-7-5-8-12-18)23(30)32-17-19-13-9-6-10-14-19/h2*5-14,20-21H,15-17H2,1-4H3,(H,27,29)/t2*20-,21+/m11/s1
InChIKey KOEGLFHSMOJKFT-KVFZLMDDSA-N
Literature Reference Author H.R.HOVEYDA,J.F.PINAULT
Literature Reference Citation ORG.LETTERS,8,5849(2006)
Literature Reference DOI 10.1021/ol062434q
Molecular Weight 917.060 g/mol
Sample ID 39829
Solvent CDCl3