| SpectraBase Spectrum ID |
6PtUq2bye7l |
| Name |
Fumaric acid, dodecyl 2,2,2-trifluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.201793899 u |
| Formula |
C18H29F3O4 |
| InChI |
InChI=1S/C18H29F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h12-13H,2-11,14-15H2,1H3/b13-12+ |
| InChIKey |
FYVCCEKPAWGJJN-OUKQBFOZSA-N |
| Molecular Weight |
366.421 g/mol |
| SMILES |
C(COC(\C=C\C(OCCCCCCCCCCCC)=O)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804015 |
