| SpectraBase Spectrum ID |
33L00NwIziT |
| Name |
Glutaric acid, di(2-chloropropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.058214456 u |
| Formula |
C11H18Cl2O4 |
| InChI |
InChI=1S/C11H18Cl2O4/c1-8(12)6-16-10(14)4-3-5-11(15)17-7-9(2)13/h8-9H,3-7H2,1-2H3 |
| InChIKey |
DOTBVNZDFOQTDR-UHFFFAOYSA-N |
| Molecular Weight |
285.167 g/mol |
| SMILES |
CC(COC(CCCC(OCC(C)Cl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964463 |
