| SpectraBase Spectrum ID |
JaV1etZFLec |
| Name |
2-(4-Fluorophenyl)-2-oxoethyl 3-phenylpropiolate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.069222374 u |
| Formula |
C17H11FO3 |
| InChI |
InChI=1S/C17H11FO3/c18-15-9-7-14(8-10-15)16(19)12-21-17(20)11-6-13-4-2-1-3-5-13/h1-5,7-10H,12H2 |
| InChIKey |
MGALKMVWMPSPRW-UHFFFAOYSA-N |
| Molecular Weight |
282.270 g/mol |
| SMILES |
C(C#CC=1C=CC=CC1)(=O)OCC(=O)C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815575 |
