| SpectraBase Compound ID | CoiiTLNoc5R |
|---|---|
| InChI | InChI=1S/C30H44F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-41-26(39)25(23-24-20-17-16-18-21-24)38-27(40)28(31,32)29(33,34)30(35,36)37/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,38,40) |
| InChIKey | PPJKZUYNOPPALL-UHFFFAOYSA-N |
| Mol Weight | 599.7 g/mol |
| Molecular Formula | C30H44F7NO3 |
| Exact Mass | 599.320941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfZ6HyHv9uv |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 599.320941419 u |
| Formula | C30H44F7NO3 |
| InChI | InChI=1S/C30H44F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-41-26(39)25(23-24-20-17-16-18-21-24)38-27(40)28(31,32)29(33,34)30(35,36)37/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,38,40) |
| InChIKey | PPJKZUYNOPPALL-UHFFFAOYSA-N |
| Molecular Weight | 599.675 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |