| SpectraBase Spectrum ID |
9ka6y6LK9gz |
| Name |
Malonic 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 |
452.246015228 u |
| Formula |
C23H42Cl2O4 |
| InChI |
InChI=1S/C23H42Cl2O4/c24-17-13-9-5-1-3-7-11-15-19-28-22(26)21-23(27)29-20-16-12-8-4-2-6-10-14-18-25/h1-21H2 |
| InChIKey |
PSRUFBQUTBXALV-UHFFFAOYSA-N |
| Molecular Weight |
453.491 g/mol |
| SMILES |
C(C(OCCCCCCCCCCCl)=O)C(OCCCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970793 |
