| SpectraBase Compound ID | 4XBhaMuv198 |
|---|---|
| InChI | InChI=1S/C20H35ClO4/c1-2-3-4-5-9-12-17-24-19(22)14-15-20(23)25-18-13-10-7-6-8-11-16-21/h14-15H,2-13,16-18H2,1H3/b15-14+ |
| InChIKey | RLEXIXXJESQPHT-CCEZHUSRSA-N |
| Mol Weight | 374.9 g/mol |
| Molecular Formula | C20H35ClO4 |
| Exact Mass | 374.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5htsdKlyHZ5 |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.222387303 u |
| Formula | C20H35ClO4 |
| InChI | InChI=1S/C20H35ClO4/c1-2-3-4-5-9-12-17-24-19(22)14-15-20(23)25-18-13-10-7-6-8-11-16-21/h14-15H,2-13,16-18H2,1H3/b15-14+ |
| InChIKey | RLEXIXXJESQPHT-CCEZHUSRSA-N |
| Molecular Weight | 374.949 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCC)=O)(OCCCCCCCCCl)=O |