| SpectraBase Spectrum ID |
32PwSrUr0pQ |
| Name |
Adipic acid, di(3-methyl-4-chlorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.073864520 u |
| Formula |
C20H20Cl2O4 |
| InChI |
InChI=1S/C20H20Cl2O4/c1-13-11-15(7-9-17(13)21)25-19(23)5-3-4-6-20(24)26-16-8-10-18(22)14(2)12-16/h7-12H,3-6H2,1-2H3 |
| InChIKey |
AJIAWTUGGNKTTE-UHFFFAOYSA-N |
| Molecular Weight |
395.282 g/mol |
| SMILES |
CC1=C(C=CC(=C1)OC(CCCCC(=O)OC1=CC(=C(C=C1)Cl)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829588 |
