| SpectraBase Compound ID | DqPwLnQTAP5 |
|---|---|
| InChI | InChI=1S/C13H13F5O3/c1-13(2,3)5-21-12(19)20-4-6-7(14)9(16)11(18)10(17)8(6)15/h4-5H2,1-3H3 |
| InChIKey | FXUPWDWEFOPIQG-UHFFFAOYSA-N |
| Mol Weight | 312.24 g/mol |
| Molecular Formula | C13H13F5O3 |
| Exact Mass | 312.078485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XEbKuOyShb |
|---|---|
| Name | Carbonic acid, neopentyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.078485091 u |
| Formula | C13H13F5O3 |
| InChI | InChI=1S/C13H13F5O3/c1-13(2,3)5-21-12(19)20-4-6-7(14)9(16)11(18)10(17)8(6)15/h4-5H2,1-3H3 |
| InChIKey | FXUPWDWEFOPIQG-UHFFFAOYSA-N |
| Molecular Weight | 312.236 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)COC(OCC(C)(C)C)=O)F)F)F |