| SpectraBase Spectrum ID |
H40GKwtl62D |
| Name |
Fumaric acid, butyl 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 |
254.076593384 u |
| Formula |
C10H13F3O4 |
| InChI |
InChI=1S/C10H13F3O4/c1-2-3-6-16-8(14)4-5-9(15)17-7-10(11,12)13/h4-5H,2-3,6-7H2,1H3/b5-4+ |
| InChIKey |
JQLKQFVALOLEOG-SNAWJCMRSA-N |
| Molecular Weight |
254.205 g/mol |
| SMILES |
C(COC(\C=C\C(OCCCC)=O)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800111 |
