| SpectraBase Compound ID | ItIrdvDlCTp |
|---|---|
| InChI | InChI=1S/C13H18F7NO3/c1-4-5-6-24-9(22)8(7(2)3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23) |
| InChIKey | AOFDHKDMSRIGGQ-UHFFFAOYSA-N |
| Mol Weight | 369.28 g/mol |
| Molecular Formula | C13H18F7NO3 |
| Exact Mass | 369.117491 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 | DcmO23Txmn7 |
|---|---|
| Name | L-Valine, N-heptafluorobutyryl-, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.117490582 u |
| Formula | C13H18F7NO3 |
| InChI | InChI=1S/C13H18F7NO3/c1-4-5-6-24-9(22)8(7(2)3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23) |
| InChIKey | AOFDHKDMSRIGGQ-UHFFFAOYSA-N |
| Molecular Weight | 369.280 g/mol |
| SMILES | CCCCOC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |