| SpectraBase Compound ID | 48khSorC5S1 |
|---|---|
| InChI | InChI=1S/C18H20ClF5O4/c19-9-5-3-1-2-4-6-10-27-11(25)7-8-12(26)28-18-16(23)14(21)13(20)15(22)17(18)24/h1-10H2 |
| InChIKey | JHXUKIHHLXCEOQ-UHFFFAOYSA-N |
| Mol Weight | 430.8 g/mol |
| Molecular Formula | C18H20ClF5O4 |
| Exact Mass | 430.097028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7J3r9jflsX7 |
|---|---|
| Name | Succinic acid, 8-chlorooctyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.097027635 u |
| Formula | C18H20ClF5O4 |
| InChI | InChI=1S/C18H20ClF5O4/c19-9-5-3-1-2-4-6-10-27-11(25)7-8-12(26)28-18-16(23)14(21)13(20)15(22)17(18)24/h1-10H2 |
| InChIKey | JHXUKIHHLXCEOQ-UHFFFAOYSA-N |
| Molecular Weight | 430.799 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |