| 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
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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 |