| SpectraBase Spectrum ID |
HXGxbRp6kqB |
| Name |
Glutaric acid, hex-2-en-1-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.123384424 u |
| Formula |
C16H20F8O4 |
| InChI |
InChI=1S/C16H20F8O4/c1-2-3-4-5-9-27-11(25)7-6-8-12(26)28-10-14(19,20)16(23,24)15(21,22)13(17)18/h4-5,13H,2-3,6-10H2,1H3/b5-4+ |
| InChIKey |
HYVPVZHQLYJKTB-SNAWJCMRSA-N |
| Molecular Weight |
428.319 g/mol |
| SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC\C=C\CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857559 |
