| SpectraBase Compound ID | EtvcXQPpdB |
|---|---|
| InChI | InChI=1S/C14H13F7O2/c1-7-4-8(2)10(9(3)5-7)11(22)23-6-12(15,16)13(17,18)14(19,20)21/h4-5H,6H2,1-3H3 |
| InChIKey | HQUYSEAEQWCQJF-UHFFFAOYSA-N |
| Mol Weight | 346.24 g/mol |
| Molecular Formula | C14H13F7O2 |
| Exact Mass | 346.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2QLokLPqnN |
|---|---|
| Name | 2,4,6-Trimethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.080376798 u |
| Formula | C14H13F7O2 |
| InChI | InChI=1S/C14H13F7O2/c1-7-4-8(2)10(9(3)5-7)11(22)23-6-12(15,16)13(17,18)14(19,20)21/h4-5H,6H2,1-3H3 |
| InChIKey | HQUYSEAEQWCQJF-UHFFFAOYSA-N |
| Molecular Weight | 346.245 g/mol |
| SMILES | C1(=CC(=CC(=C1C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C)C)C |