| SpectraBase Spectrum ID |
1Y4FJkmLFD0 |
| Name |
Fumaric acid, 2,4,4-trimethylpentyl 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 |
324.154843706 u |
| Formula |
C15H23F3O4 |
| InChI |
InChI=1S/C15H23F3O4/c1-10(8-14(3,4)5)9-21-12(19)6-7-13(20)22-11(2)15(16,17)18/h6-7,10-11H,8-9H2,1-5H3/b7-6+ |
| InChIKey |
SELFXULHXLTZEO-VOTSOKGWSA-N |
| Molecular Weight |
324.340 g/mol |
| SMILES |
C(\C=C\C(OC(C)C(F)(F)F)=O)(OCC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94349 |
