| SpectraBase Compound ID | 5UGDTwrkY3k |
|---|---|
| InChI | InChI=1S/C13H11F5O3/c1-3-4-8-5-6-9(10(7-8)20-2)21-11(19)12(14,15)13(16,17)18/h3,5-7H,1,4H2,2H3 |
| InChIKey | AQTBZXDIKYRLGA-UHFFFAOYSA-N |
| Mol Weight | 310.22 g/mol |
| Molecular Formula | C13H11F5O3 |
| Exact Mass | 310.062835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QcIwaaZ2Tu |
|---|---|
| Name | 4-Allyl-2-methoxyphenyl 2,2,3,3,3-pentafluoropropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.062835026 u |
| Formula | C13H11F5O3 |
| InChI | InChI=1S/C13H11F5O3/c1-3-4-8-5-6-9(10(7-8)20-2)21-11(19)12(14,15)13(16,17)18/h3,5-7H,1,4H2,2H3 |
| InChIKey | AQTBZXDIKYRLGA-UHFFFAOYSA-N |
| Molecular Weight | 310.220 g/mol |
| SMILES | C1=CC(=CC(=C1OC(C(C(F)(F)F)(F)F)=O)OC)CC=C |