| SpectraBase Spectrum ID |
AHdd4MhW7Y |
| Name |
Succinic acid, 2,3-dichlorobenzyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.058214456 u |
| Formula |
C15H18Cl2O4 |
| InChI |
InChI=1S/C15H18Cl2O4/c1-10(2)8-20-13(18)6-7-14(19)21-9-11-4-3-5-12(16)15(11)17/h3-5,10H,6-9H2,1-2H3 |
| InChIKey |
CGUOAMCTHMEDEJ-UHFFFAOYSA-N |
| Molecular Weight |
333.211 g/mol |
| SMILES |
C1=CC=C(C(=C1Cl)Cl)COC(=O)CCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837559 |
