| SpectraBase Spectrum ID |
DLMxhjKXZxd |
| Name |
Glutaric acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.120814713 u |
| Formula |
C15H26Cl2O4 |
| InChI |
InChI=1S/C15H26Cl2O4/c1-11(8-15(2,3)4)9-20-13(18)6-5-7-14(19)21-10-12(16)17/h11-12H,5-10H2,1-4H3 |
| InChIKey |
KDNOGOZBFVCVAO-UHFFFAOYSA-N |
| Molecular Weight |
341.275 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935103 |
