| SpectraBase Compound ID | 5tt40IyJKW |
|---|---|
| InChI | InChI=1S/C14H13F3O4/c1-2-21-13(20)10(12(19)14(15,16)17)8-11(18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey | VGERLGVCTKCLLR-UHFFFAOYSA-N |
| Mol Weight | 302.25 g/mol |
| Molecular Formula | C14H13F3O4 |
| Exact Mass | 302.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3xXrBZNyTF |
|---|---|
| Name | Ethyl 2-phenacyltrifluoroacetylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.076593384 u |
| Formula | C14H13F3O4 |
| InChI | InChI=1S/C14H13F3O4/c1-2-21-13(20)10(12(19)14(15,16)17)8-11(18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3 |
| InChIKey | VGERLGVCTKCLLR-UHFFFAOYSA-N |
| Molecular Weight | 302.249 g/mol |
| SMILES | C(=O)(OCC)C(CC(c1ccccc1)=O)C(=O)C(F)(F)F |