| SpectraBase Compound ID | 4taNgu7eFmb |
|---|---|
| InChI | InChI=1S/C28H40F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-39-24(37)23(21-22-18-15-14-16-19-22)36-25(38)26(29,30)27(31,32)28(33,34)35/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,36,38) |
| InChIKey | QWZNASQTTVGIIH-UHFFFAOYSA-N |
| Mol Weight | 571.6 g/mol |
| Molecular Formula | C28H40F7NO3 |
| Exact Mass | 571.289641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dfw9VXRA63f |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 571.289641290 u |
| Formula | C28H40F7NO3 |
| InChI | InChI=1S/C28H40F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-39-24(37)23(21-22-18-15-14-16-19-22)36-25(38)26(29,30)27(31,32)28(33,34)35/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,36,38) |
| InChIKey | QWZNASQTTVGIIH-UHFFFAOYSA-N |
| Molecular Weight | 571.621 g/mol |
| SMILES | CCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |