| SpectraBase Spectrum ID |
6yIDp1Xvfxv |
| Name |
2-2-bis-Trifluoromethyl-3-oxobutanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.037763093 u |
| Formula |
C8H8F6O3 |
| InChI |
InChI=1S/C8H8F6O3/c1-3-17-5(16)6(4(2)15,7(9,10)11)8(12,13)14/h3H2,1-2H3 |
| InChIKey |
BOFRBLMWGXPYKU-UHFFFAOYSA-N |
| Molecular Weight |
266.139 g/mol |
| SMILES |
C(C(C(OCC)=O)(C(F)(F)F)C(F)(F)F)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832402 |
