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4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-TRIFLUOROMETHYL)-PHENYLALANINATE-TRIFLUOROACETATE
SpectraBase Compound ID 4TwE4j5BeV1
InChI InChI=1S/C25H23F3N4O4.C2HF3O2/c26-25(27,28)24(15-17-7-3-1-4-8-17,32-23(34)35-16-18-9-5-2-6-10-18)21(33)36-20-13-11-19(12-14-20)31-22(29)30;3-2(4,5)1(6)7/h1-14H,15-16H2,(H,32,34)(H4,29,30,31);(H,6,7)
InChIKey RVQFXPNTEMSTMF-UHFFFAOYSA-N
Mol Weight 614.501 g/mol
Molecular Formula C27H24F6N4O6
Exact Mass 614.160003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRMfGMswlEI
Name 4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-TRIFLUOROMETHYL)-PHENYLALANINATE-TRIFLUOROACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24F6N4O6
InChI InChI=1S/C25H23F3N4O4.C2HF3O2/c26-25(27,28)24(15-17-7-3-1-4-8-17,32-23(34)35-16-18-9-5-2-6-10-18)21(33)36-20-13-11-19(12-14-20)31-22(29)30;3-2(4,5)1(6)7/h1-14H,15-16H2,(H,32,34)(H4,29,30,31);(H,6,7)
InChIKey RVQFXPNTEMSTMF-UHFFFAOYSA-N
Literature Reference Author S.THUST,B.KOKSCH
Literature Reference Citation J.ORG.CHEM.,68,2290(2003)
Literature Reference DOI 10.1021/jo020613p
Molecular Weight 614.501 g/mol
Solvent DMSO
Source File Reference UWVN25180