| SpectraBase Compound ID | YUYzcOVmKp |
|---|---|
| InChI | InChI=1S/C19H22F15NO3/c1-3-4-5-6-7-8-9-38-11(36)10(2)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h10H,3-9H2,1-2H3,(H,35,37) |
| InChIKey | YZWRDFFVIUEZRJ-UHFFFAOYSA-N |
| Mol Weight | 597.37 g/mol |
| Molecular Formula | C19H22F15NO3 |
| Exact Mass | 597.136016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LHlMg4CLNl |
|---|---|
| Name | L-Alanine, N-pentadecafluorooctanoyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 597.136016014 u |
| Formula | C19H22F15NO3 |
| InChI | InChI=1S/C19H22F15NO3/c1-3-4-5-6-7-8-9-38-11(36)10(2)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h10H,3-9H2,1-2H3,(H,35,37) |
| InChIKey | YZWRDFFVIUEZRJ-UHFFFAOYSA-N |
| Molecular Weight | 597.365 g/mol |
| SMILES | C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(NC(C)C(OCCCCCCCC)=O)=O)(F)F)(F)F |