| SpectraBase Compound ID | Azz8jvQc8F6 |
|---|---|
| InChI | InChI=1S/C13H14ClF2NO3/c1-2-20-11(18)10(17-12(19)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,19) |
| InChIKey | GBLBQWFRENCJNP-UHFFFAOYSA-N |
| Mol Weight | 305.71 g/mol |
| Molecular Formula | C13H14ClF2NO3 |
| Exact Mass | 305.063027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7sEb31mkNF |
|---|---|
| Name | dl-Phenylalanine, N-chlorodifluoroacetyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.063027338 u |
| Formula | C13H14ClF2NO3 |
| InChI | InChI=1S/C13H14ClF2NO3/c1-2-20-11(18)10(17-12(19)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,19) |
| InChIKey | GBLBQWFRENCJNP-UHFFFAOYSA-N |
| Molecular Weight | 305.709 g/mol |
| SMILES | C1=C(C=CC=C1)CC(NC(C(F)(F)Cl)=O)C(OCC)=O |