| SpectraBase Spectrum ID |
IF0VrABMj5P |
| Name |
Sebacic acid, 2,6-dichlorophenyl isohexyl 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/c1-17(2)11-10-16-27-20(25)14-7-5-3-4-6-8-15-21(26)28-22-18(23)12-9-13-19(22)24/h9,12-13,17H,3-8,10-11,14-16H2,1-2H3 |
| InChIKey |
KGOCATCJTGRDJD-UHFFFAOYSA-N |
| Molecular Weight |
431.400 g/mol |
| SMILES |
C(CCCCCCC(OC1=C(C=CC=C1Cl)Cl)=O)CC(OCCCC(C)C)=O |
