| SpectraBase Spectrum ID |
820pzh7vXYz |
| Name |
Succinic acid, 8-chloroctyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.222387303 u |
| Formula |
C19H35ClO4 |
| InChI |
InChI=1S/C19H35ClO4/c1-2-3-4-8-11-16-23-18(21)13-14-19(22)24-17-12-9-6-5-7-10-15-20/h2-17H2,1H3 |
| InChIKey |
KOXUVSWOTSRYLK-UHFFFAOYSA-N |
| Molecular Weight |
362.938 g/mol |
| SMILES |
C(C(OCCCCCCCCCl)=O)CC(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932044 |
