| SpectraBase Compound ID | DiUllVccLhl |
|---|---|
| InChI | InChI=1S/C22H28F7NO3/c1-2-3-4-5-6-7-11-14-33-18(31)17(15-16-12-9-8-10-13-16)30-19(32)20(23,24)21(25,26)22(27,28)29/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,30,32) |
| InChIKey | LCYCKEDIQPLGIT-UHFFFAOYSA-N |
| Mol Weight | 487.46 g/mol |
| Molecular Formula | C22H28F7NO3 |
| Exact Mass | 487.195741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EOBKUEElb7 |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.195740904 u |
| Formula | C22H28F7NO3 |
| InChI | InChI=1S/C22H28F7NO3/c1-2-3-4-5-6-7-11-14-33-18(31)17(15-16-12-9-8-10-13-16)30-19(32)20(23,24)21(25,26)22(27,28)29/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,30,32) |
| InChIKey | LCYCKEDIQPLGIT-UHFFFAOYSA-N |
| Molecular Weight | 487.459 g/mol |
| SMILES | C(CCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O)C |