| SpectraBase Spectrum ID |
DsWGTAswAKR |
| Name |
3,3-Difluoro-2-keto-4-phenyl-hex-5-enoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.091100634 u |
| Formula |
C14H14F2O3 |
| InChI |
InChI=1S/C14H14F2O3/c1-3-11(10-8-6-5-7-9-10)14(15,16)12(17)13(18)19-4-2/h3,5-9,11H,1,4H2,2H3 |
| InChIKey |
OUOWQJCBBJXNOX-UHFFFAOYSA-N |
| Molecular Weight |
268.260 g/mol |
| SMILES |
C(C(C(=O)OCC)=O)(C(C=C)C=1C=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918242 |
