| SpectraBase Compound ID | 6yB5h9LV7h7 |
|---|---|
| InChI | InChI=1S/C21H30Cl2O4/c1-2-3-10-16-26-19(24)14-8-6-4-5-7-9-15-20(25)27-18-13-11-12-17(22)21(18)23/h11-13H,2-10,14-16H2,1H3 |
| InChIKey | WAHOJEXZGIQXGV-UHFFFAOYSA-N |
| Mol Weight | 417.37 g/mol |
| Molecular Formula | C21H30Cl2O4 |
| Exact Mass | 416.152115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BztGRfogw4W |
|---|---|
| Name | Sebacic acid, 2,3-dichlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.152114842 u |
| Formula | C21H30Cl2O4 |
| InChI | InChI=1S/C21H30Cl2O4/c1-2-3-10-16-26-19(24)14-8-6-4-5-7-9-15-20(25)27-18-13-11-12-17(22)21(18)23/h11-13H,2-10,14-16H2,1H3 |
| InChIKey | WAHOJEXZGIQXGV-UHFFFAOYSA-N |
| Molecular Weight | 417.373 g/mol |
| SMILES | C(CCCCCC(OC1=C(C(=CC=C1)Cl)Cl)=O)CCC(OCCCCC)=O |