| SpectraBase Compound ID | 7xobWQdNkiB |
|---|---|
| InChI | InChI=1S/C16H26F5NO3/c1-4-5-6-7-8-9-10-25-13(23)12(11(2)3)22-14(24)15(17,18)16(19,20)21/h11-12H,4-10H2,1-3H3,(H,22,24) |
| InChIKey | RIGBBRIOGMHQOH-UHFFFAOYSA-N |
| Mol Weight | 375.38 g/mol |
| Molecular Formula | C16H26F5NO3 |
| Exact Mass | 375.183285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzN6Y41bUyJ |
|---|---|
| Name | L-Valine, N-pentafluoropropionyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.183284513 u |
| Formula | C16H26F5NO3 |
| InChI | InChI=1S/C16H26F5NO3/c1-4-5-6-7-8-9-10-25-13(23)12(11(2)3)22-14(24)15(17,18)16(19,20)21/h11-12H,4-10H2,1-3H3,(H,22,24) |
| InChIKey | RIGBBRIOGMHQOH-UHFFFAOYSA-N |
| Molecular Weight | 375.380 g/mol |
| SMILES | CCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O |