| SpectraBase Compound ID | Ddhc8WUQbuK |
|---|---|
| InChI | InChI=1S/C12H13F2NO3/c1-2-18-10(16)6-7-15-12(17)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,17) |
| InChIKey | DCPLMPSRUHFYLF-UHFFFAOYSA-N |
| Mol Weight | 257.24 g/mol |
| Molecular Formula | C12H13F2NO3 |
| Exact Mass | 257.08635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5DV3ANfjvXW |
|---|---|
| Name | .beta.-Alanine, N-(2,6-difluorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.086349606 u |
| Formula | C12H13F2NO3 |
| InChI | InChI=1S/C12H13F2NO3/c1-2-18-10(16)6-7-15-12(17)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,17) |
| InChIKey | DCPLMPSRUHFYLF-UHFFFAOYSA-N |
| Molecular Weight | 257.237 g/mol |
| SMILES | C1=CC=C(C(=C1F)C(NCCC(OCC)=O)=O)F |