| SpectraBase Compound ID | KYJrsDwS41w |
|---|---|
| InChI | InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22(24)19-18-20-23/h2-21H2,1H3 |
| InChIKey | PENLVWCLIVDARD-UHFFFAOYSA-N |
| Mol Weight | 375.0 g/mol |
| Molecular Formula | C22H43ClO2 |
| Exact Mass | 374.295158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CT5sGMNz0yV |
|---|---|
| Name | 4-Chlorobutyric acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.295158323 u |
| Formula | C22H43ClO2 |
| InChI | InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22(24)19-18-20-23/h2-21H2,1H3 |
| InChIKey | PENLVWCLIVDARD-UHFFFAOYSA-N |
| Molecular Weight | 375.037 g/mol |
| SMILES | C(OC(CCCCl)=O)CCCCCCCCCCCCCCCCC |