| SpectraBase Compound ID | IvLQ6hmMzgI |
|---|---|
| InChI | InChI=1S/C13H18F7NO3/c1-6(2)5-24-9(22)8(7(3)4)21-10(23)11(14,15)12(16,17)13(18,19)20/h6-8H,5H2,1-4H3,(H,21,23) |
| InChIKey | DVJZJVCXAFDQLN-UHFFFAOYSA-N |
| Mol Weight | 369.28 g/mol |
| Molecular Formula | C13H18F7NO3 |
| Exact Mass | 369.117491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ec2TFx6gOAC |
|---|---|
| Name | L-Valine, N-heptafluorobutyryl-, isobutyl 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/c1-6(2)5-24-9(22)8(7(3)4)21-10(23)11(14,15)12(16,17)13(18,19)20/h6-8H,5H2,1-4H3,(H,21,23) |
| InChIKey | DVJZJVCXAFDQLN-UHFFFAOYSA-N |
| Molecular Weight | 369.280 g/mol |
| SMILES | CC(C)COC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |