| SpectraBase Spectrum ID |
LxbQYxj6GXw |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl pent-4-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.114121708 u |
| Formula |
C13H18F4O4 |
| InChI |
InChI=1S/C13H18F4O4/c1-3-5-9(2)21-11(19)7-4-6-10(18)20-8-13(16,17)12(14)15/h3,9,12H,1,4-8H2,2H3 |
| InChIKey |
GCPJXUWPHORBRI-UHFFFAOYSA-N |
| Molecular Weight |
314.277 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC(C)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948155 |
