![Methyl 3-phenyl-3-[(trifluoroacetyl)oxy]propanoate](/api/spectrum/7QcuOVPEEbE/structure.png?h=300&w=458 "Methyl 3-phenyl-3-[(trifluoroacetyl)oxy]propanoate")
| SpectraBase Compound ID | LVuQBZ6k0Jp |
|---|---|
| InChI | InChI=1S/C12H11F3O4/c1-18-10(16)7-9(8-5-3-2-4-6-8)19-11(17)12(13,14)15/h2-6,9H,7H2,1H3 |
| InChIKey | SZGJVMOTEKBASH-UHFFFAOYSA-N |
| Mol Weight | 276.21 g/mol |
| Molecular Formula | C12H11F3O4 |
| Exact Mass | 276.060943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QcuOVPEEbE |
|---|---|
| Name | Methyl 3-phenyl-3-[(trifluoroacetyl)oxy]propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.060943319 u |
| Formula | C12H11F3O4 |
| InChI | InChI=1S/C12H11F3O4/c1-18-10(16)7-9(8-5-3-2-4-6-8)19-11(17)12(13,14)15/h2-6,9H,7H2,1H3 |
| InChIKey | SZGJVMOTEKBASH-UHFFFAOYSA-N |
| Molecular Weight | 276.211 g/mol |
| SMILES | C(CC(OC)=O)(C=1C=CC=CC1)OC(C(F)(F)F)=O |