| SpectraBase Spectrum ID |
9Esy4icvEEx |
| Name |
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2-dichloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.998489566 u |
| Formula |
C12H12Cl2F8O4 |
| InChI |
InChI=1S/C12H12Cl2F8O4/c13-6(14)4-25-7(23)2-1-3-8(24)26-5-10(17,18)12(21,22)11(19,20)9(15)16/h6,9H,1-5H2 |
| InChIKey |
CMYGQYVUHOSMLJ-UHFFFAOYSA-N |
| Molecular Weight |
443.117 g/mol |
| SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91671 |
