| SpectraBase Compound ID | AQ7OToH0V43 |
|---|---|
| InChI | InChI=1S/C17H18F15NO3/c1-3-4-5-6-7-36-9(34)8(2)33-10(35)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h8H,3-7H2,1-2H3,(H,33,35) |
| InChIKey | QPNBAGOYARLEOT-UHFFFAOYSA-N |
| Mol Weight | 569.31 g/mol |
| Molecular Formula | C17H18F15NO3 |
| Exact Mass | 569.104716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3tFV0ifbOvO |
|---|---|
| Name | L-Alanine, N-pentadecafluorooctanoyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 569.104715886 u |
| Formula | C17H18F15NO3 |
| InChI | InChI=1S/C17H18F15NO3/c1-3-4-5-6-7-36-9(34)8(2)33-10(35)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h8H,3-7H2,1-2H3,(H,33,35) |
| InChIKey | QPNBAGOYARLEOT-UHFFFAOYSA-N |
| Molecular Weight | 569.311 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(OCCCCCC)=O)=O)(F)F)(F)F |