| SpectraBase Compound ID | KVKjBAy7xR7 |
|---|---|
| InChI | InChI=1S/C57H42F5NO12/c1-31-48(72-52(64)33-15-5-2-6-16-33)50(74-53(65)34-17-7-3-8-18-34)51(75-54(66)35-19-9-4-10-20-35)56(70-31)71-36-27-25-32(26-28-36)29-42(55(67)73-49-46(61)44(59)43(58)45(60)47(49)62)63-57(68)69-30-41-39-23-13-11-21-37(39)38-22-12-14-24-40(38)41/h2-28,31,41-42,48,50-51,56H,29-30H2,1H3,(H,63,68)/t31-,42-,48-,50+,51+,56-/m0/s1 |
| InChIKey | XFWYNPPLEYDFKH-KDBHJRTESA-N |
| Mol Weight | 1028.0 g/mol |
| Molecular Formula | C57H42F5NO12 |
| Exact Mass | 1027.262717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 97Q6oITelXe |
|---|---|
| Name | N(ALPHA)-FMOC-TYR-(BZ(3)-ALPHA-L-RHA)-O-PFP |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H42F5NO12 |
| InChI | InChI=1S/C57H42F5NO12/c1-31-48(72-52(64)33-15-5-2-6-16-33)50(74-53(65)34-17-7-3-8-18-34)51(75-54(66)35-19-9-4-10-20-35)56(70-31)71-36-27-25-32(26-28-36)29-42(55(67)73-49-46(61)44(59)43(58)45(60)47(49)62)63-57(68)69-30-41-39-23-13-11-21-37(39)38-22-12-14-24-40(38)41/h2-28,31,41-42,48,50-51,56H,29-30H2,1H3,(H,63,68)/t31-,42-,48-,50+,51+,56-/m0/s1 |
| InChIKey | XFWYNPPLEYDFKH-KDBHJRTESA-N |
| Literature Reference Author | A.VARGAS-BERENGUEL,M.MELDAL,H.PAULSEN,K.J.JENSEN,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3287(1994) |
| Literature Reference DOI | 10.1039/p19940003287 |
| Molecular Weight | 1027.952 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU4378 |