| SpectraBase Spectrum ID |
5DFrCtbX99q |
| Name |
Sebacic acid, di(10-chlorodecyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.355565679 u |
| Formula |
C30H56Cl2O4 |
| InChI |
InChI=1S/C30H56Cl2O4/c31-25-19-13-7-1-3-9-15-21-27-35-29(33)23-17-11-5-6-12-18-24-30(34)36-28-22-16-10-4-2-8-14-20-26-32/h1-28H2 |
| InChIKey |
XFRTUKLMEALOGU-UHFFFAOYSA-N |
| Molecular Weight |
551.680 g/mol |
| SMILES |
C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843774 |
