| SpectraBase Spectrum ID |
IpI2OWL3LRX |
| Name |
Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,3,3-pentafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.104699838 u |
| Formula |
C13H17F5O4 |
| InChI |
InChI=1S/C13H17F5O4/c1-9(2)6-7-21-10(19)4-3-5-11(20)22-8-12(14,15)13(16,17)18/h6H,3-5,7-8H2,1-2H3 |
| InChIKey |
TWWRGRNGTRAHLJ-UHFFFAOYSA-N |
| Molecular Weight |
332.267 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OCC(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982648 |
