| SpectraBase Compound ID | FU9vtuN56xY |
|---|---|
| InChI | InChI=1S/C22H32Cl2O4/c1-2-3-4-11-16-27-21(25)12-9-7-5-6-8-10-13-22(26)28-20-15-14-18(23)17-19(20)24/h14-15,17H,2-13,16H2,1H3 |
| InChIKey | QKZBGDWJRVHNBX-UHFFFAOYSA-N |
| Mol Weight | 431.4 g/mol |
| Molecular Formula | C22H32Cl2O4 |
| Exact Mass | 430.167765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xd9vp86xJe |
|---|---|
| Name | Sebacic acid, 2,4-dichlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.167764906 u |
| Formula | C22H32Cl2O4 |
| InChI | InChI=1S/C22H32Cl2O4/c1-2-3-4-11-16-27-21(25)12-9-7-5-6-8-10-13-22(26)28-20-15-14-18(23)17-19(20)24/h14-15,17H,2-13,16H2,1H3 |
| InChIKey | QKZBGDWJRVHNBX-UHFFFAOYSA-N |
| Molecular Weight | 431.400 g/mol |
| SMILES | C(CCCCCCC(OC1=CC=C(C=C1Cl)Cl)=O)CC(OCCCCCC)=O |