| SpectraBase Compound ID | 5ZfpkMGVexf |
|---|---|
| InChI | InChI=1S/C15H14F6O4/c1-4-24-11(22)13(16,17)15(20,21)14(18,19)12(23)25-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey | HJVUIYPFIXOEMZ-UHFFFAOYSA-N |
| Mol Weight | 372.26 g/mol |
| Molecular Formula | C15H14F6O4 |
| Exact Mass | 372.079628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hd0K9iVA1H4 |
|---|---|
| Name | 4-Carbethoxybutyric acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.079627905 u |
| Formula | C15H14F6O4 |
| InChI | InChI=1S/C15H14F6O4/c1-4-24-11(22)13(16,17)15(20,21)14(18,19)12(23)25-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey | HJVUIYPFIXOEMZ-UHFFFAOYSA-N |
| Molecular Weight | 372.263 g/mol |
| SMILES | C1=CC(OC(=O)C(F)(F)C(F)(C(C(=O)OCC)(F)F)F)=CC(=C1C)C |