| SpectraBase Compound ID | IjA6IXDCzcz |
|---|---|
| InChI | InChI=1S/C14H16O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3 |
| InChIKey | SHGPHLCOWYSLIK-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KHQK9AVs4Em |
|---|---|
| Name | 5,5-Dimethyl-1-phenyl-3-hexyn-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.120115134 u |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,10H2,1-3H3 |
| InChIKey | SHGPHLCOWYSLIK-UHFFFAOYSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | C(#CC(C)(C)C)CC(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971146 |