| SpectraBase Compound ID | BArAVzovCNz |
|---|---|
| InChI | InChI=1S/C18H15F10NO5/c1-8(2)33-12(30)11(29-13(31)15(19,20)17(23,24)25)7-9-3-5-10(6-4-9)34-14(32)16(21,22)18(26,27)28/h3-6,8,11H,7H2,1-2H3,(H,29,31)/t11-/m1/s1 |
| InChIKey | BKJAKYIXILAVTH-LLVKDONJSA-N |
| Mol Weight | 515.3 g/mol |
| Molecular Formula | C18H15F10NO5 |
| Exact Mass | 515.079054 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 | Gwqd0F2YbDu |
|---|---|
| Name | N,o-bis(Pentafluoropropionyl)-D-tyrosine isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 515.079054212 u |
| Formula | C18H15F10NO5 |
| InChI | InChI=1S/C18H15F10NO5/c1-8(2)33-12(30)11(29-13(31)15(19,20)17(23,24)25)7-9-3-5-10(6-4-9)34-14(32)16(21,22)18(26,27)28/h3-6,8,11H,7H2,1-2H3,(H,29,31)/t11-/m1/s1 |
| InChIKey | BKJAKYIXILAVTH-LLVKDONJSA-N |
| Molecular Weight | 515.304 g/mol |
| SMILES | C([C@](C(=O)OC(C)C)(NC(C(F)(C(F)(F)F)F)=O)[H])C1=CC=C(C=C1)OC(=O)C(C(F)(F)F)(F)F |