| SpectraBase Compound ID | Az96Xq2Ptpx |
|---|---|
| InChI | InChI=1S/C16H21F2NO3/c1-10(2)6-5-9-22-16(21)11(3)19-15(20)14-12(17)7-4-8-13(14)18/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,19,20) |
| InChIKey | IZMZJNHGNTVQLE-UHFFFAOYSA-N |
| Mol Weight | 313.34 g/mol |
| Molecular Formula | C16H21F2NO3 |
| Exact Mass | 313.14895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdmWJCudTSf |
|---|---|
| Name | L-Alanine, N-(2,6-difluorobenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.148949863 u |
| Formula | C16H21F2NO3 |
| InChI | InChI=1S/C16H21F2NO3/c1-10(2)6-5-9-22-16(21)11(3)19-15(20)14-12(17)7-4-8-13(14)18/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,19,20) |
| InChIKey | IZMZJNHGNTVQLE-UHFFFAOYSA-N |
| Molecular Weight | 313.345 g/mol |
| SMILES | C1(=CC=CC(=C1C(NC(C)C(OCCCC(C)C)=O)=O)F)F |