| SpectraBase Compound ID | BlqmppTyCi9 |
|---|---|
| InChI | InChI=1S/C16H15F5O4/c1-8(2)4-3-7-24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h5-6,8H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | ZUWNWMCKVJOIRL-AATRIKPKSA-N |
| Mol Weight | 366.28 g/mol |
| Molecular Formula | C16H15F5O4 |
| Exact Mass | 366.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8f5ywdTNt3d |
|---|---|
| Name | Fumaric acid, isohexyl 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/c1-8(2)4-3-7-24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h5-6,8H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | ZUWNWMCKVJOIRL-AATRIKPKSA-N |
| Molecular Weight | 366.284 g/mol |
| SMILES | C(OC1=C(C(=C(C(=C1F)F)F)F)F)(\C=C\C(OCCCC(C)C)=O)=O |