| SpectraBase Compound ID | DXwvUVhTgRi |
|---|---|
| InChI | InChI=1S/C21H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21(23)18-15-16-19-22/h2-20H2,1H3 |
| InChIKey | HJPJQMNZOQVLCN-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 | 3gYonjxVpyF |
|---|---|
| Name | 5-Chlorovaleric acid, hexadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21(23)18-15-16-19-22/h2-20H2,1H3 |
| InChIKey | HJPJQMNZOQVLCN-UHFFFAOYSA-N |
| Molecular Weight | 361.010 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCC)CCCCCl |