| SpectraBase Compound ID | 3yUhJRmwDvD |
|---|---|
| InChI | InChI=1S/C11H9F5O3/c1-2-3-18-11(17)19-4-5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3 |
| InChIKey | PWZMHTWXSHIWAH-UHFFFAOYSA-N |
| Mol Weight | 284.18 g/mol |
| Molecular Formula | C11H9F5O3 |
| Exact Mass | 284.047185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoU0ibSZn58 |
|---|---|
| Name | Carbonic acid, pentafluorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.047184962 u |
| Formula | C11H9F5O3 |
| InChI | InChI=1S/C11H9F5O3/c1-2-3-18-11(17)19-4-5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3 |
| InChIKey | PWZMHTWXSHIWAH-UHFFFAOYSA-N |
| Molecular Weight | 284.182 g/mol |
| SMILES | C(OCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |