| SpectraBase Compound ID | Ae5YwbW2drK |
|---|---|
| InChI | InChI=1S/C17H23F2NO3/c1-4-5-9-23-17(22)14(10-11(2)3)20-16(21)15-12(18)7-6-8-13(15)19/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,21) |
| InChIKey | UILDENKUKLECSL-UHFFFAOYSA-N |
| Mol Weight | 327.37 g/mol |
| Molecular Formula | C17H23F2NO3 |
| Exact Mass | 327.1646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wwhuVxqC1b |
|---|---|
| Name | L-Leucine, N-(2,6-difluorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.164599928 u |
| Formula | C17H23F2NO3 |
| InChI | InChI=1S/C17H23F2NO3/c1-4-5-9-23-17(22)14(10-11(2)3)20-16(21)15-12(18)7-6-8-13(15)19/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,21) |
| InChIKey | UILDENKUKLECSL-UHFFFAOYSA-N |
| Molecular Weight | 327.372 g/mol |
| SMILES | C1(=CC=CC(=C1C(NC(CC(C)C)C(OCCCC)=O)=O)F)F |