| SpectraBase Compound ID | 4I26ozuxrES |
|---|---|
| InChI | InChI=1S/C25H24F2N4O4.C2HF3O2/c26-21(27)25(15-17-7-3-1-4-8-17,31-24(33)34-16-18-9-5-2-6-10-18)22(32)35-20-13-11-19(12-14-20)30-23(28)29;3-2(4,5)1(6)7/h1-14,21H,15-16H2,(H,31,33)(H4,28,29,30);(H,6,7) |
| InChIKey | YJZHMSZNNIHHRP-UHFFFAOYSA-N |
| Mol Weight | 596.511 g/mol |
| Molecular Formula | C27H25F5N4O6 |
| Exact Mass | 596.169425 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59zOW5tX956 |
|---|---|
| Name | 4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-DIFLUOROMETHYL)-PHENYLALANINATE-TRIFLUOROACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H25F5N4O6 |
| InChI | InChI=1S/C25H24F2N4O4.C2HF3O2/c26-21(27)25(15-17-7-3-1-4-8-17,31-24(33)34-16-18-9-5-2-6-10-18)22(32)35-20-13-11-19(12-14-20)30-23(28)29;3-2(4,5)1(6)7/h1-14,21H,15-16H2,(H,31,33)(H4,28,29,30);(H,6,7) |
| InChIKey | YJZHMSZNNIHHRP-UHFFFAOYSA-N |
| Literature Reference Author | S.THUST,B.KOKSCH |
| Literature Reference Citation | J.ORG.CHEM.,68,2290(2003) |
| Literature Reference DOI | 10.1021/jo020613p |
| Solvent | DMSO |
| Source File Reference | UWVN25177 |