| SpectraBase Compound ID | 1SSOgH33lMb |
|---|---|
| InChI | InChI=1S/C19H36Cl2O2/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | KYPMPURXQCFWCJ-UHFFFAOYSA-N |
| Mol Weight | 367.4 g/mol |
| Molecular Formula | C19H36Cl2O2 |
| Exact Mass | 366.209236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXr0vq4krqf |
|---|---|
| Name | Octadecanoic acid, 9,10-dichloro-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.209235797 u |
| Formula | C19H36Cl2O2 |
| InChI | InChI=1S/C19H36Cl2O2/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | KYPMPURXQCFWCJ-UHFFFAOYSA-N |
| Molecular Weight | 367.401 g/mol |
| SMILES | COC(=O)CCCCCCCC(Cl)C(Cl)CCCCCCCC |