| SpectraBase Compound ID | H6nP6AP82Kc |
|---|---|
| InChI | InChI=1S/C12H9F5O2/c1-5(2)3-7(18)19-4-6-8(13)10(15)12(17)11(16)9(6)14/h3H,4H2,1-2H3 |
| InChIKey | XVAGJLRDDMOERQ-UHFFFAOYSA-N |
| Mol Weight | 280.19 g/mol |
| Molecular Formula | C12H9F5O2 |
| Exact Mass | 280.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClYjTRUJNfs |
|---|---|
| Name | 3-Methylbut-2-enoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.052270343 u |
| Formula | C12H9F5O2 |
| InChI | InChI=1S/C12H9F5O2/c1-5(2)3-7(18)19-4-6-8(13)10(15)12(17)11(16)9(6)14/h3H,4H2,1-2H3 |
| InChIKey | XVAGJLRDDMOERQ-UHFFFAOYSA-N |
| Molecular Weight | 280.194 g/mol |
| SMILES | C(=C(C)C)C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |