| SpectraBase Spectrum ID |
LyFm4cmlpo8 |
| Name |
3-Fluoro-2-keto-3-phenyl-propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.069222374 u |
| Formula |
C11H11FO3 |
| InChI |
InChI=1S/C11H11FO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey |
NPZUFESDIBOGDZ-UHFFFAOYSA-N |
| Molecular Weight |
210.204 g/mol |
| SMILES |
C(C(=O)OCC)(C(C=1C=CC=CC1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97583 |
