| SpectraBase Compound ID | 8H3wxZbe1Yq |
|---|---|
| InChI | InChI=1S/C23H30F7NO3/c1-2-3-4-5-6-7-8-12-15-34-19(32)18(16-17-13-10-9-11-14-17)31-20(33)21(24,25)22(26,27)23(28,29)30/h9-11,13-14,18H,2-8,12,15-16H2,1H3,(H,31,33) |
| InChIKey | SQFRBKMGMQFRTF-UHFFFAOYSA-N |
| Mol Weight | 501.49 g/mol |
| Molecular Formula | C23H30F7NO3 |
| Exact Mass | 501.211391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISEUJyxVgwz |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 501.211390968 u |
| Formula | C23H30F7NO3 |
| InChI | InChI=1S/C23H30F7NO3/c1-2-3-4-5-6-7-8-12-15-34-19(32)18(16-17-13-10-9-11-14-17)31-20(33)21(24,25)22(26,27)23(28,29)30/h9-11,13-14,18H,2-8,12,15-16H2,1H3,(H,31,33) |
| InChIKey | SQFRBKMGMQFRTF-UHFFFAOYSA-N |
| Molecular Weight | 501.486 g/mol |
| SMILES | CCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |