| SpectraBase Compound ID | CEQSM6penPr |
|---|---|
| InChI | InChI=1S/C27H38F15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-46-19(44)18(2)43-20(45)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h18H,3-17H2,1-2H3,(H,43,45) |
| InChIKey | OYDVNMLGABZJKI-UHFFFAOYSA-N |
| Mol Weight | 709.6 g/mol |
| Molecular Formula | C27H38F15NO3 |
| Exact Mass | 709.261217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PHYFSyVEDH |
|---|---|
| Name | L-Alanine, N-pentadecafluorooctanoyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 709.261216530 u |
| Formula | C27H38F15NO3 |
| InChI | InChI=1S/C27H38F15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-46-19(44)18(2)43-20(45)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h18H,3-17H2,1-2H3,(H,43,45) |
| InChIKey | OYDVNMLGABZJKI-UHFFFAOYSA-N |
| Molecular Weight | 709.581 g/mol |
| SMILES | C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(NC(C(OCCCCCCCCCCCCCCCC)=O)C)=O)(F)F |