| SpectraBase Compound ID | IKMG5wQukhr |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-9-5-4-6-12(10(9)2)22-14(20)8-7-13(19)21-11(3)15(16,17)18/h4-6,11H,7-8H2,1-3H3 |
| InChIKey | MMVJTMMWXODNKR-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29ktPjXO4uB |
|---|---|
| Name | Succinic acid, 1,1,1-trifluoroprop-2-yl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107893512 u |
| Formula | C15H17F3O4 |
| InChI | InChI=1S/C15H17F3O4/c1-9-5-4-6-12(10(9)2)22-14(20)8-7-13(19)21-11(3)15(16,17)18/h4-6,11H,7-8H2,1-3H3 |
| InChIKey | MMVJTMMWXODNKR-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C(CC(OC(C)C(F)(F)F)=O)C(OC1=C(C(C)=CC=C1)C)=O |