| SpectraBase Compound ID | 1lpW9egz0cV |
|---|---|
| InChI | InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3 |
| InChIKey | RAZOKRUZEQERLH-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C12H8O |
| Exact Mass | 168.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ZC73Rrx1T6 |
|---|---|
| Name | 2,4-Hexadiyn-1-one, 1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.057514877 u |
| Formula | C12H8O |
| InChI | InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3 |
| InChIKey | RAZOKRUZEQERLH-UHFFFAOYSA-N |
| Molecular Weight | 168.195 g/mol |
| SMILES | C1=C(C=CC=C1)C(C#CC#CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892231 |