| SpectraBase Spectrum ID |
G5qyHyjRxBl |
| Name |
Glutaric acid, 2,2-dichloroethyl 3-methyl-5-methoxypentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.100079268 u |
| Formula |
C14H24Cl2O5 |
| InChI |
InChI=1S/C14H24Cl2O5/c1-11(6-8-19-2)7-9-20-13(17)4-3-5-14(18)21-10-12(15)16/h11-12H,3-10H2,1-2H3 |
| InChIKey |
VIJJAZRSZPYWHA-UHFFFAOYSA-N |
| Molecular Weight |
343.247 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872776 |
