| SpectraBase Spectrum ID |
9kg0pdJfSHc |
| Name |
Succinic acid, butyl 2,4-dichlorophenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.073864520 u |
| Formula |
C16H20Cl2O4 |
| InChI |
InChI=1S/C16H20Cl2O4/c1-2-3-9-21-15(19)6-7-16(20)22-10-8-12-4-5-13(17)11-14(12)18/h4-5,11H,2-3,6-10H2,1H3 |
| InChIKey |
YMKCIMFVIZHSLJ-UHFFFAOYSA-N |
| Molecular Weight |
347.238 g/mol |
| SMILES |
C(CCC(OCCC1=CC=C(C=C1Cl)Cl)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846491 |
