| SpectraBase Compound ID | CY0F4gugcUo |
|---|---|
| InChI | InChI=1S/C13H12O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-7,10H,1-2H3 |
| InChIKey | IPKSOUDQDJBXLH-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C13H12O |
| Exact Mass | 184.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KLITKYvBsk9 |
|---|---|
| Name | 5-Methyl-1-phenylhex-4-en-1-yn-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.088815005 u |
| Formula | C13H12O |
| InChI | InChI=1S/C13H12O/c1-11(2)10-13(14)9-8-12-6-4-3-5-7-12/h3-7,10H,1-2H3 |
| InChIKey | IPKSOUDQDJBXLH-UHFFFAOYSA-N |
| Molecular Weight | 184.238 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C(C=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955867 |