| SpectraBase Spectrum ID |
9jfickBX7Ut |
| Name |
Glutaric acid, 1-cyclopentylethyl 2,2-dichloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.089514584 u |
| Formula |
C14H22Cl2O4 |
| InChI |
InChI=1S/C14H22Cl2O4/c1-10(11-5-2-3-6-11)20-14(18)8-4-7-13(17)19-9-12(15)16/h10-12H,2-9H2,1H3 |
| InChIKey |
SAQLFYZZSWNROD-UHFFFAOYSA-N |
| Molecular Weight |
325.232 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OC(C)C1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874992 |
