| SpectraBase Compound ID | 4gHwzqEAz6D |
|---|---|
| InChI | InChI=1S/C24H32F7NO3/c1-2-3-4-5-6-7-8-9-13-16-35-20(33)19(17-18-14-11-10-12-15-18)32-21(34)22(25,26)23(27,28)24(29,30)31/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,32,34) |
| InChIKey | DEVCZRFCLVHFTP-UHFFFAOYSA-N |
| Mol Weight | 515.5 g/mol |
| Molecular Formula | C24H32F7NO3 |
| Exact Mass | 515.227041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6qDYC1cRzg |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 515.227041032 u |
| Formula | C24H32F7NO3 |
| InChI | InChI=1S/C24H32F7NO3/c1-2-3-4-5-6-7-8-9-13-16-35-20(33)19(17-18-14-11-10-12-15-18)32-21(34)22(25,26)23(27,28)24(29,30)31/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,32,34) |
| InChIKey | DEVCZRFCLVHFTP-UHFFFAOYSA-N |
| Molecular Weight | 515.513 g/mol |
| SMILES | CCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |