| SpectraBase Spectrum ID |
BJYI6ATvKsj |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl oct-3-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.161071901 u |
| Formula |
C16H24F4O4 |
| InChI |
InChI=1S/C16H24F4O4/c1-3-4-5-6-8-12(2)24-14(22)10-7-9-13(21)23-11-16(19,20)15(17)18/h6,8,12,15H,3-5,7,9-11H2,1-2H3/b8-6+ |
| InChIKey |
NNGFFFMZNGODGX-SOFGYWHQSA-N |
| Molecular Weight |
356.358 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC(C)\C=C\CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859165 |
