| SpectraBase Compound ID | DGgbkFhxcEZ |
|---|---|
| InChI | InChI=1S/C21H30Cl2O4/c1-2-3-10-15-26-20(24)11-8-6-4-5-7-9-12-21(25)27-19-14-13-17(22)16-18(19)23/h13-14,16H,2-12,15H2,1H3 |
| InChIKey | ZRVFOEACLDUNIK-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 | 8YR4BQ2dcPY |
|---|---|
| Name | Sebacic acid, 2,4-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/c1-2-3-10-15-26-20(24)11-8-6-4-5-7-9-12-21(25)27-19-14-13-17(22)16-18(19)23/h13-14,16H,2-12,15H2,1H3 |
| InChIKey | ZRVFOEACLDUNIK-UHFFFAOYSA-N |
| Molecular Weight | 417.373 g/mol |
| SMILES | C(CCCCCCC(OC1=CC=C(C=C1Cl)Cl)=O)CC(OCCCCC)=O |