| SpectraBase Spectrum ID |
4p3jXldXwLQ |
| Name |
Glutaric acid, pent-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 |
414.107734360 u |
| Formula |
C15H18F8O4 |
| InChI |
InChI=1S/C15H18F8O4/c1-2-3-4-8-26-10(24)6-5-7-11(25)27-9-13(18,19)15(22,23)14(20,21)12(16)17/h3-4,12H,2,5-9H2,1H3/b4-3+ |
| InChIKey |
ZGCLBXFQPXMCNQ-ONEGZZNKSA-N |
| Molecular Weight |
414.292 g/mol |
| SMILES |
C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924036 |
