| SpectraBase Compound ID | G6D850nE8Je |
|---|---|
| InChI | InChI=1S/C23H45ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23(25)20-17-18-21-24/h2-22H2,1H3 |
| InChIKey | NIFZBQWHRAITQZ-UHFFFAOYSA-N |
| Mol Weight | 389.1 g/mol |
| Molecular Formula | C23H45ClO2 |
| Exact Mass | 388.310808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IKRDgwbsJta |
|---|---|
| Name | 5-Chlorovaleric acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.310808387 u |
| Formula | C23H45ClO2 |
| InChI | InChI=1S/C23H45ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23(25)20-17-18-21-24/h2-22H2,1H3 |
| InChIKey | NIFZBQWHRAITQZ-UHFFFAOYSA-N |
| Molecular Weight | 389.064 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCCCC)CCCCCl |