| SpectraBase Compound ID | 2benvWKUr0t |
|---|---|
| InChI | InChI=1S/C24H45ClO4/c1-4-7-8-9-11-14-17-20-28-22(26)24(5-2,6-3)23(27)29-21-18-15-12-10-13-16-19-25/h4-21H2,1-3H3 |
| InChIKey | BLHKAHDUQJECFB-UHFFFAOYSA-N |
| Mol Weight | 433.1 g/mol |
| Molecular Formula | C24H45ClO4 |
| Exact Mass | 432.300638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2t91Hs8MDEE |
|---|---|
| Name | Diethylmalonic acid, 8-chlorooctyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.300637625 u |
| Formula | C24H45ClO4 |
| InChI | InChI=1S/C24H45ClO4/c1-4-7-8-9-11-14-17-20-28-22(26)24(5-2,6-3)23(27)29-21-18-15-12-10-13-16-19-25/h4-21H2,1-3H3 |
| InChIKey | BLHKAHDUQJECFB-UHFFFAOYSA-N |
| Molecular Weight | 433.073 g/mol |
| SMILES | C(C(C(OCCCCCCCCC)=O)(CC)CC)(OCCCCCCCCCl)=O |