| SpectraBase Compound ID | HFVSCijRd0A |
|---|---|
| InChI | InChI=1S/C16H15F5O4/c1-2-3-4-5-8-24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6-7H,2-5,8H2,1H3/b7-6+ |
| InChIKey | XHTMSMWXTASNIS-VOTSOKGWSA-N |
| Mol Weight | 366.28 g/mol |
| Molecular Formula | C16H15F5O4 |
| Exact Mass | 366.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeKMaY6xgyu |
|---|---|
| Name | Fumaric acid, hexyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.089049774 u |
| Formula | C16H15F5O4 |
| InChI | InChI=1S/C16H15F5O4/c1-2-3-4-5-8-24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6-7H,2-5,8H2,1H3/b7-6+ |
| InChIKey | XHTMSMWXTASNIS-VOTSOKGWSA-N |
| Molecular Weight | 366.284 g/mol |
| SMILES | C(OC1=C(C(=C(C(=C1F)F)F)F)F)(\C=C\C(OCCCCCC)=O)=O |