| SpectraBase Spectrum ID |
6fsc7P8HPy7 |
| Name |
Succinic acid, 2,2,3,3-tetrafluoropropyl cis-hex-2-en-1-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/c1-2-3-4-5-8-20-10(18)6-7-11(19)21-9-13(16,17)12(14)15/h4-5,12H,2-3,6-9H2,1H3/b5-4- |
| InChIKey |
PUKISXCHSBJISO-PLNGDYQASA-N |
| Molecular Weight |
314.277 g/mol |
| SMILES |
C(CC(OCC(C(F)F)(F)F)=O)C(OC\C=C/CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983105 |
