| SpectraBase Compound ID | A39yCNntpWs |
|---|---|
| InChI | InChI=1S/C31H46F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-23(48)22(20-21(2)3)47-24(49)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h21-22H,4-20H2,1-3H3,(H,47,49) |
| InChIKey | MQWYFHFXRWULDA-UHFFFAOYSA-N |
| Mol Weight | 765.7 g/mol |
| Molecular Formula | C31H46F15NO3 |
| Exact Mass | 765.323817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCghdskatn1 |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 765.323816787 u |
| Formula | C31H46F15NO3 |
| InChI | InChI=1S/C31H46F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-23(48)22(20-21(2)3)47-24(49)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h21-22H,4-20H2,1-3H3,(H,47,49) |
| InChIKey | MQWYFHFXRWULDA-UHFFFAOYSA-N |
| Molecular Weight | 765.689 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCOC(C(NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)CC(C)C)=O |