| SpectraBase Spectrum ID |
Ex6nbeg4Ebd |
| Name |
Fumaric acid, 2-ethylhexyl 2,2,3,3-tetrafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.145421836 u |
| Formula |
C15H22F4O4 |
| InChI |
InChI=1S/C15H22F4O4/c1-3-5-6-11(4-2)9-22-12(20)7-8-13(21)23-10-15(18,19)14(16)17/h7-8,11,14H,3-6,9-10H2,1-2H3/b8-7+ |
| InChIKey |
IKRJXJOZTVGTLH-BQYQJAHWSA-N |
| Molecular Weight |
342.331 g/mol |
| SMILES |
C(\C=C\C(OCC(C(F)F)(F)F)=O)(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895852 |
