| SpectraBase Compound ID | Hmi4p8NDFck |
|---|---|
| InChI | InChI=1S/C15H19F2NO3/c1-3-4-5-8-21-15(20)10(2)18-14(19)12-7-6-11(16)9-13(12)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19) |
| InChIKey | FDJBPNBSHSGEGU-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 | KT5aH7hirRC |
|---|---|
| Name | D-Alanine, N-(2,4-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/c1-3-4-5-8-21-15(20)10(2)18-14(19)12-7-6-11(16)9-13(12)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19) |
| InChIKey | FDJBPNBSHSGEGU-UHFFFAOYSA-N |
| Molecular Weight | 299.318 g/mol |
| SMILES | CC(NC(=O)C1=C(C=C(C=C1)F)F)C(OCCCCC)=O |