| SpectraBase Compound ID | C4wwZsZGjC2 |
|---|---|
| InChI | InChI=1S/C11H9F5O2/c1-7-3-2-4-8(5-7)6-18-9(17)10(12,13)11(14,15)16/h2-5H,6H2,1H3 |
| InChIKey | PRFAUINIEJAOAW-UHFFFAOYSA-N |
| Mol Weight | 268.18 g/mol |
| Molecular Formula | C11H9F5O2 |
| Exact Mass | 268.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84dcw479YvW |
|---|---|
| Name | 3-Methylbenzyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.052270343 u |
| Formula | C11H9F5O2 |
| InChI | InChI=1S/C11H9F5O2/c1-7-3-2-4-8(5-7)6-18-9(17)10(12,13)11(14,15)16/h2-5H,6H2,1H3 |
| InChIKey | PRFAUINIEJAOAW-UHFFFAOYSA-N |
| Molecular Weight | 268.183 g/mol |
| SMILES | C1=C(C=CC=C1COC(=O)C(C(F)(F)F)(F)F)C |