| SpectraBase Compound ID | Av5hGymlF1H |
|---|---|
| InChI | InChI=1S/C31H46F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-42-27(40)26(24-25-21-18-17-19-22-25)39-28(41)29(32,33)30(34,35)31(36,37)38/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,39,41) |
| InChIKey | TXNIOWFWTPLLHT-UHFFFAOYSA-N |
| Mol Weight | 613.7 g/mol |
| Molecular Formula | C31H46F7NO3 |
| Exact Mass | 613.336591 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 | 5SYSxwC20kS |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 613.336591483 u |
| Formula | C31H46F7NO3 |
| InChI | InChI=1S/C31H46F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-42-27(40)26(24-25-21-18-17-19-22-25)39-28(41)29(32,33)30(34,35)31(36,37)38/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,39,41) |
| InChIKey | TXNIOWFWTPLLHT-UHFFFAOYSA-N |
| Molecular Weight | 613.702 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |