| SpectraBase Compound ID | 8AvqKsJaKOm |
|---|---|
| InChI | InChI=1S/C11H14F7NO3/c1-4-5(2)6(7(20)22-3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21) |
| InChIKey | GORFLUWNXXPCEK-UHFFFAOYSA-N |
| Mol Weight | 341.23 g/mol |
| Molecular Formula | C11H14F7NO3 |
| Exact Mass | 341.08619 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 | H8hYjFT8WME |
|---|---|
| Name | L-Isoleucine, N-heptafluorobutyryl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.086190453 u |
| Formula | C11H14F7NO3 |
| InChI | InChI=1S/C11H14F7NO3/c1-4-5(2)6(7(20)22-3)19-8(21)9(12,13)10(14,15)11(16,17)18/h5-6H,4H2,1-3H3,(H,19,21) |
| InChIKey | GORFLUWNXXPCEK-UHFFFAOYSA-N |
| Molecular Weight | 341.226 g/mol |
| SMILES | CCC(C(C(OC)=O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |