| SpectraBase Spectrum ID |
9PDSvqZxXu2 |
| Name |
2-oxo-2-p-Tolylethyl 3-phenylpropiolate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.094294308 u |
| Formula |
C18H14O3 |
| InChI |
InChI=1S/C18H14O3/c1-14-7-10-16(11-8-14)17(19)13-21-18(20)12-9-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3 |
| InChIKey |
SHWRHYVVYXVHGK-UHFFFAOYSA-N |
| Molecular Weight |
278.307 g/mol |
| SMILES |
C(C#CC=1C=CC=CC1)(=O)OCC(C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946999 |
