| SpectraBase Spectrum ID |
wBp1N076RH |
| Name |
Glutaric acid, di((2-chlorocyclohexyl)methyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.152114842 u |
| Formula |
C19H30Cl2O4 |
| InChI |
InChI=1S/C19H30Cl2O4/c20-16-8-3-1-6-14(16)12-24-18(22)10-5-11-19(23)25-13-15-7-2-4-9-17(15)21/h14-17H,1-13H2 |
| InChIKey |
GEHMIUGYRSJLQN-UHFFFAOYSA-N |
| Molecular Weight |
393.351 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1Cl)=O)C(OCC1C(CCCC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987212 |
