| SpectraBase Spectrum ID |
4B9Yt5u7r4s |
| Name |
Succinic acid, 2,4-dichlorophenethyl isobutyl 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/c1-11(2)10-22-16(20)6-5-15(19)21-8-7-12-3-4-13(17)9-14(12)18/h3-4,9,11H,5-8,10H2,1-2H3 |
| InChIKey |
SFIOYBKDFMBGAK-UHFFFAOYSA-N |
| Molecular Weight |
347.238 g/mol |
| SMILES |
C(CCC(OCCC1=CC=C(C=C1Cl)Cl)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898606 |
