| SpectraBase Spectrum ID |
AH7JDkL7tY5 |
| Name |
Sebacic acid, 2,2-dichloroethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.152114842 u |
| Formula |
C17H30Cl2O4 |
| InChI |
InChI=1S/C17H30Cl2O4/c1-2-3-10-13-22-16(20)11-8-6-4-5-7-9-12-17(21)23-14-15(18)19/h15H,2-14H2,1H3 |
| InChIKey |
PQNPDDVBZYZKSF-UHFFFAOYSA-N |
| Molecular Weight |
369.329 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCCC)=O)(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880647 |
