| SpectraBase Spectrum ID |
Bwni0RAZbD7 |
| Name |
2-(3,3,3-Trifluoro-propyl)malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.092243448 u |
| Formula |
C10H15F3O4 |
| InChI |
InChI=1S/C10H15F3O4/c1-3-16-8(14)7(9(15)17-4-2)5-6-10(11,12)13/h7H,3-6H2,1-2H3 |
| InChIKey |
FQXFYLMRHGXIQZ-UHFFFAOYSA-N |
| Molecular Weight |
256.221 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)CCC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97927 |
