| SpectraBase Spectrum ID |
581G10WVu7b |
| Name |
Sebacic acid, 2,2-dichloroethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.120814713 u |
| Formula |
C15H26Cl2O4 |
| InChI |
InChI=1S/C15H26Cl2O4/c1-2-11-20-14(18)9-7-5-3-4-6-8-10-15(19)21-12-13(16)17/h13H,2-12H2,1H3 |
| InChIKey |
KPZNTXRWJPYAQO-UHFFFAOYSA-N |
| Molecular Weight |
341.275 g/mol |
| SMILES |
C(CCCCCCCCC(OCCC)=O)(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989604 |
