| SpectraBase Compound ID | LhsUMriZoDu |
|---|---|
| InChI | InChI=1S/C24H47ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-24(26)21-20-22-25/h2-23H2,1H3 |
| InChIKey | RROXGHSGTRLUSS-UHFFFAOYSA-N |
| Mol Weight | 403.1 g/mol |
| Molecular Formula | C24H47ClO2 |
| Exact Mass | 402.326458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bzmP9KlSL1 |
|---|---|
| Name | 4-Chlorobutyric acid, eicosyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.326458451 u |
| Formula | C24H47ClO2 |
| InChI | InChI=1S/C24H47ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-24(26)21-20-22-25/h2-23H2,1H3 |
| InChIKey | RROXGHSGTRLUSS-UHFFFAOYSA-N |
| Molecular Weight | 403.091 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCOC(CCCCl)=O)CC |