| SpectraBase Compound ID | AucxgeAiIUv |
|---|---|
| InChI | InChI=1S/C13H15F2NO3/c1-3-6-19-13(18)8(2)16-12(17)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17) |
| InChIKey | YVVCZVOJBDCPAI-UHFFFAOYSA-N |
| Mol Weight | 271.26 g/mol |
| Molecular Formula | C13H15F2NO3 |
| Exact Mass | 271.102 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqL3qfs2oEL |
|---|---|
| Name | D-Alanine, N-(2,4-difluorobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.101999670 u |
| Formula | C13H15F2NO3 |
| InChI | InChI=1S/C13H15F2NO3/c1-3-6-19-13(18)8(2)16-12(17)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17) |
| InChIKey | YVVCZVOJBDCPAI-UHFFFAOYSA-N |
| Molecular Weight | 271.264 g/mol |
| SMILES | CC(NC(=O)C1=C(C=C(C=C1)F)F)C(OCCC)=O |