| SpectraBase Spectrum ID |
E1oJSZM2o3R |
| Name |
Succinic acid, 8-chloroctyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.175437110 u |
| Formula |
C16H29ClO4 |
| InChI |
InChI=1S/C16H29ClO4/c1-14(2)13-21-16(19)10-9-15(18)20-12-8-6-4-3-5-7-11-17/h14H,3-13H2,1-2H3 |
| InChIKey |
QRTDRDMVYRYFBY-UHFFFAOYSA-N |
| Molecular Weight |
320.857 g/mol |
| SMILES |
C(C(OCCCCCCCCCl)=O)CC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913775 |
