| SpectraBase Spectrum ID |
EplysuTcvts |
| Name |
Glutaric acid, dec-2-yl 8-chlorooctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.284987561 u |
| Formula |
C23H43ClO4 |
| InChI |
InChI=1S/C23H43ClO4/c1-3-4-5-6-9-12-16-21(2)28-23(26)18-15-17-22(25)27-20-14-11-8-7-10-13-19-24/h21H,3-20H2,1-2H3 |
| InChIKey |
ZECRMMHNMKAULK-UHFFFAOYSA-N |
| Molecular Weight |
419.046 g/mol |
| SMILES |
C(CCC(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808965 |
