| SpectraBase Compound ID | 9OixD5uKYSj |
|---|---|
| InChI | InChI=1S/C15H15F5O4/c1-7(2)5-23-9(21)3-4-10(22)24-6-8-11(16)13(18)15(20)14(19)12(8)17/h7H,3-6H2,1-2H3 |
| InChIKey | XXGXDFLEYDMPTC-UHFFFAOYSA-N |
| Mol Weight | 354.27 g/mol |
| Molecular Formula | C15H15F5O4 |
| Exact Mass | 354.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4DYCDlF0Zk |
|---|---|
| Name | Succinic acid, isobutyl pentafluorobenzyl 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/c1-7(2)5-23-9(21)3-4-10(22)24-6-8-11(16)13(18)15(20)14(19)12(8)17/h7H,3-6H2,1-2H3 |
| InChIKey | XXGXDFLEYDMPTC-UHFFFAOYSA-N |
| Molecular Weight | 354.273 g/mol |
| SMILES | CC(C)COC(CCC(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O)=O |