| SpectraBase Compound ID | J4pYDdA7duY |
|---|---|
| InChI | InChI=1S/C11H9F5O2/c1-6-4-3-5-8(7(6)2)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3 |
| InChIKey | CPHZHNZNWIQIRE-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 | ruEAOEOq9m |
|---|---|
| Name | 2,3-Dimethylphenol, 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/c1-6-4-3-5-8(7(6)2)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3 |
| InChIKey | CPHZHNZNWIQIRE-UHFFFAOYSA-N |
| Molecular Weight | 268.183 g/mol |
| SMILES | C1(=C(C=CC=C1OC(C(C(F)(F)F)(F)F)=O)C)C |