![Methyl 4-phenyl-4-[(trifluoroacetyl)oxy]butanoate](/api/spectrum/3NLunXKC4Fp/structure.png?h=300&w=458 "Methyl 4-phenyl-4-[(trifluoroacetyl)oxy]butanoate")
| SpectraBase Compound ID | 1M0nlz0V0s2 |
|---|---|
| InChI | InChI=1S/C13H13F3O4/c1-19-11(17)8-7-10(9-5-3-2-4-6-9)20-12(18)13(14,15)16/h2-6,10H,7-8H2,1H3 |
| InChIKey | ARJHKCHGVFQLLE-UHFFFAOYSA-N |
| Mol Weight | 290.24 g/mol |
| Molecular Formula | C13H13F3O4 |
| Exact Mass | 290.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NLunXKC4Fp |
|---|---|
| Name | Methyl 4-phenyl-4-[(trifluoroacetyl)oxy]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.076593384 u |
| Formula | C13H13F3O4 |
| InChI | InChI=1S/C13H13F3O4/c1-19-11(17)8-7-10(9-5-3-2-4-6-9)20-12(18)13(14,15)16/h2-6,10H,7-8H2,1H3 |
| InChIKey | ARJHKCHGVFQLLE-UHFFFAOYSA-N |
| Molecular Weight | 290.238 g/mol |
| SMILES | C1=C(C=CC=C1)C(CCC(OC)=O)OC(=O)C(F)(F)F |