| SpectraBase Compound ID | J4j026TCr8f |
|---|---|
| InChI | InChI=1S/C23H43ClO4/c1-4-7-8-9-13-16-19-27-21(25)23(5-2,6-3)22(26)28-20-17-14-11-10-12-15-18-24/h4-20H2,1-3H3 |
| InChIKey | JMBOAYCMTXCVOU-UHFFFAOYSA-N |
| Mol Weight | 419.0 g/mol |
| Molecular Formula | C23H43ClO4 |
| Exact Mass | 418.284988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZU6sfHDN5Q |
|---|---|
| Name | Diethylmalonic acid, 8-chlorooctyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.284987561 u |
| Formula | C23H43ClO4 |
| InChI | InChI=1S/C23H43ClO4/c1-4-7-8-9-13-16-19-27-21(25)23(5-2,6-3)22(26)28-20-17-14-11-10-12-15-18-24/h4-20H2,1-3H3 |
| InChIKey | JMBOAYCMTXCVOU-UHFFFAOYSA-N |
| Molecular Weight | 419.046 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)(CC)CC)(OCCCCCCCCCl)=O |