| SpectraBase Compound ID | I7RRePLF7nw |
|---|---|
| InChI | InChI=1S/C16H12O/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10H,1H3 |
| InChIKey | FFKLTSOPZKKMMA-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C16H12O |
| Exact Mass | 220.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5upsONcUnbz |
|---|---|
| Name | 3-Phenyl-1-o-tolylprop-2-yn-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.088815005 u |
| Formula | C16H12O |
| InChI | InChI=1S/C16H12O/c1-13-7-5-6-10-15(13)16(17)12-11-14-8-3-2-4-9-14/h2-10H,1H3 |
| InChIKey | FFKLTSOPZKKMMA-UHFFFAOYSA-N |
| Molecular Weight | 220.271 g/mol |
| SMILES | C(#CC=1C=CC=CC1)C(=O)C1=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8605 |