| SpectraBase Compound ID | I2KA8RxxRt7 |
|---|---|
| InChI | InChI=1S/C15H19F2NO3/c1-3-4-5-9-21-15(20)10(2)18-14(19)13-11(16)7-6-8-12(13)17/h6-8,10H,3-5,9H2,1-2H3,(H,18,19) |
| InChIKey | AFCJEXOTOLUUDL-UHFFFAOYSA-N |
| Mol Weight | 299.32 g/mol |
| Molecular Formula | C15H19F2NO3 |
| Exact Mass | 299.1333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlWCRpP1AfW |
|---|---|
| Name | L-Alanine, N-(2,6-difluorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.133299799 u |
| Formula | C15H19F2NO3 |
| InChI | InChI=1S/C15H19F2NO3/c1-3-4-5-9-21-15(20)10(2)18-14(19)13-11(16)7-6-8-12(13)17/h6-8,10H,3-5,9H2,1-2H3,(H,18,19) |
| InChIKey | AFCJEXOTOLUUDL-UHFFFAOYSA-N |
| Molecular Weight | 299.318 g/mol |
| SMILES | C1=C(C(=C(C=C1)F)C(NC(C)C(OCCCCC)=O)=O)F |