| SpectraBase Spectrum ID |
1uDviX6yC1g |
| Name |
Glutaric acid, 2,2-dichloroethyl hept-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.105164649 u |
| Formula |
C14H24Cl2O4 |
| InChI |
InChI=1S/C14H24Cl2O4/c1-3-6-11(7-4-2)20-14(18)9-5-8-13(17)19-10-12(15)16/h11-12H,3-10H2,1-2H3 |
| InChIKey |
OSJDWCZULNDHMQ-UHFFFAOYSA-N |
| Molecular Weight |
327.248 g/mol |
| SMILES |
C(CCC(OC(CCC)CCC)=O)C(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812447 |
