| SpectraBase Spectrum ID |
HEcdyagkGAV |
| Name |
Glutaric acid, di(2,2,2-trichloroethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.871024998 u |
| Formula |
C9H10Cl6O4 |
| InChI |
InChI=1S/C9H10Cl6O4/c10-8(11,12)4-18-6(16)2-1-3-7(17)19-5-9(13,14)15/h1-5H2 |
| InChIKey |
RJGJHHTZWFWBOD-UHFFFAOYSA-N |
| Molecular Weight |
394.893 g/mol |
| SMILES |
C(COC(=O)CCCC(OCC(Cl)(Cl)Cl)=O)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916726 |
