| SpectraBase Compound ID | C4TNIkY5mnX |
|---|---|
| InChI | InChI=1S/C16H12O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10H,13H2 |
| InChIKey | IWCMRVFONGZPMZ-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C16H12O |
| Exact Mass | 220.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5lvsQL6e0Bz |
|---|---|
| Name | 1,4-Diphenylbut-3-yn-2-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/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10H,13H2 |
| InChIKey | IWCMRVFONGZPMZ-UHFFFAOYSA-N |
| Molecular Weight | 220.271 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C(=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933974 |