| SpectraBase Compound ID | J5fVBVGwdMH |
|---|---|
| InChI | InChI=1S/C21H41ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20H,3-19H2,1-2H3 |
| InChIKey | YQCZLISEEYFBDQ-UHFFFAOYSA-N |
| Mol Weight | 361.0 g/mol |
| Molecular Formula | C21H41ClO2 |
| Exact Mass | 360.279508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqQf6O3W3dZ |
|---|---|
| Name | 2- Chloropropionic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.279508258 u |
| Formula | C21H41ClO2 |
| InChI | InChI=1S/C21H41ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20H,3-19H2,1-2H3 |
| InChIKey | YQCZLISEEYFBDQ-UHFFFAOYSA-N |
| Molecular Weight | 361.010 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCCCC)C(C)Cl |