| SpectraBase Compound ID | 1po4M8Rr1hR |
|---|---|
| InChI | InChI=1S/C21H27F5O4/c1-2-3-10-13-29-14(27)11-8-6-4-5-7-9-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3 |
| InChIKey | LSOQAVXFWUHINF-UHFFFAOYSA-N |
| Mol Weight | 438.44 g/mol |
| Molecular Formula | C21H27F5O4 |
| Exact Mass | 438.18295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YaGudD1arX |
|---|---|
| Name | Sebacic acid, pentafluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.182950160 u |
| Formula | C21H27F5O4 |
| InChI | InChI=1S/C21H27F5O4/c1-2-3-10-13-29-14(27)11-8-6-4-5-7-9-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3 |
| InChIKey | LSOQAVXFWUHINF-UHFFFAOYSA-N |
| Molecular Weight | 438.435 g/mol |
| SMILES | C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CCCCCCCC(OCCCCC)=O |