| SpectraBase Spectrum ID |
50jR9bxce4m |
| Name |
Glutaric acid, di(4-chloro-3-methylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.058214456 u |
| Formula |
C19H18Cl2O4 |
| InChI |
InChI=1S/C19H18Cl2O4/c1-12-10-14(6-8-16(12)20)24-18(22)4-3-5-19(23)25-15-7-9-17(21)13(2)11-15/h6-11H,3-5H2,1-2H3 |
| InChIKey |
YKPQLSLQJGNQBX-UHFFFAOYSA-N |
| Molecular Weight |
381.255 g/mol |
| SMILES |
CC1=C(C=CC(=C1)OC(CCCC(OC1=CC=C(C(=C1)C)Cl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832614 |
