| SpectraBase Spectrum ID |
GYpUgwozDMA |
| Name |
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.053111963 u |
| Formula |
C17H15ClF8O4 |
| InChI |
InChI=1S/C17H15ClF8O4/c18-11-6-4-10(5-7-11)8-29-12(27)2-1-3-13(28)30-9-15(21,22)17(25,26)16(23,24)14(19)20/h4-7,14H,1-3,8-9H2 |
| InChIKey |
BXCIWERIMYAROW-UHFFFAOYSA-N |
| Molecular Weight |
470.743 g/mol |
| SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841629 |
