| SpectraBase Spectrum ID |
DW1HN5zJwuK |
| Name |
Glutaric acid, pent-2-en-1-yl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.123543577 u |
| Formula |
C13H19F3O4 |
| InChI |
InChI=1S/C13H19F3O4/c1-3-4-5-9-19-11(17)7-6-8-12(18)20-10(2)13(14,15)16/h4-5,10H,3,6-9H2,1-2H3/b5-4+ |
| InChIKey |
KKKVVKOMSZVLEC-SNAWJCMRSA-N |
| Molecular Weight |
296.286 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879538 |
