| SpectraBase Spectrum ID |
HGAXrhHhaqy |
| Name |
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.118299043 u |
| Formula |
C23H20F8O5 |
| InChI |
InChI=1S/C23H20F8O5/c24-20(25)22(28,29)23(30,31)21(26,27)14-35-19(33)11-5-10-18(32)34-13-15-6-4-9-17(12-15)36-16-7-2-1-3-8-16/h1-4,6-9,12,20H,5,10-11,13-14H2 |
| InChIKey |
HUMXYTVTGXOEMU-UHFFFAOYSA-N |
| Molecular Weight |
528.395 g/mol |
| SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851241 |
