| SpectraBase Compound ID | EjdeHKtaMSq |
|---|---|
| InChI | InChI=1S/C20H25F5O4/c1-2-11-28-14(26)9-7-5-3-4-6-8-10-15(27)29-12-13-16(21)18(23)20(25)19(24)17(13)22/h2-12H2,1H3 |
| InChIKey | ZYCLZZIFTJCQAO-UHFFFAOYSA-N |
| Mol Weight | 424.41 g/mol |
| Molecular Formula | C20H25F5O4 |
| Exact Mass | 424.1673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvFIMk48u7g |
|---|---|
| Name | Sebacic acid, pentafluorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.167300096 u |
| Formula | C20H25F5O4 |
| InChI | InChI=1S/C20H25F5O4/c1-2-11-28-14(26)9-7-5-3-4-6-8-10-15(27)29-12-13-16(21)18(23)20(25)19(24)17(13)22/h2-12H2,1H3 |
| InChIKey | ZYCLZZIFTJCQAO-UHFFFAOYSA-N |
| Molecular Weight | 424.408 g/mol |
| SMILES | C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCC)=O |