| SpectraBase Compound ID | DtIvtH4Vngq |
|---|---|
| InChI | InChI=1S/C19H22F7NO3/c1-2-3-4-8-11-30-15(28)14(12-13-9-6-5-7-10-13)27-16(29)17(20,21)18(22,23)19(24,25)26/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,27,29) |
| InChIKey | HARPKTKZDXKYIP-UHFFFAOYSA-N |
| Mol Weight | 445.38 g/mol |
| Molecular Formula | C19H22F7NO3 |
| Exact Mass | 445.148791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxqBer5knJI |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 445.148790710 u |
| Formula | C19H22F7NO3 |
| InChI | InChI=1S/C19H22F7NO3/c1-2-3-4-8-11-30-15(28)14(12-13-9-6-5-7-10-13)27-16(29)17(20,21)18(22,23)19(24,25)26/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,27,29) |
| InChIKey | HARPKTKZDXKYIP-UHFFFAOYSA-N |
| Molecular Weight | 445.378 g/mol |
| SMILES | C1=CC=C(C=C1)CC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(OCCCCCC)=O |