| SpectraBase Compound ID | 6x83bW41rlG |
|---|---|
| InChI | InChI=1S/C15H15F5O4/c1-4-15(5-2,13(21)23-6-3)14(22)24-12-10(19)8(17)7(16)9(18)11(12)20/h4-6H2,1-3H3 |
| InChIKey | UJGWZKIAQLEFNB-UHFFFAOYSA-N |
| Mol Weight | 354.27 g/mol |
| Molecular Formula | C15H15F5O4 |
| Exact Mass | 354.08905 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 | K4rprFQPvkW |
|---|---|
| Name | Diethylmalonic acid, ethyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.089049774 u |
| Formula | C15H15F5O4 |
| InChI | InChI=1S/C15H15F5O4/c1-4-15(5-2,13(21)23-6-3)14(22)24-12-10(19)8(17)7(16)9(18)11(12)20/h4-6H2,1-3H3 |
| InChIKey | UJGWZKIAQLEFNB-UHFFFAOYSA-N |
| Molecular Weight | 354.273 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |