| SpectraBase Compound ID | BL4AbppapWH |
|---|---|
| InChI | InChI=1S/C13H14O/c1-11(10-12(2)14)8-9-13-6-4-3-5-7-13/h3-7,11H,10H2,1-2H3 |
| InChIKey | BQEQZQSCWNHPCD-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KSPPjMvFeb2 |
|---|---|
| Name | 4-Methyl-6-phenylhex-5-yn-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c1-11(10-12(2)14)8-9-13-6-4-3-5-7-13/h3-7,11H,10H2,1-2H3 |
| InChIKey | BQEQZQSCWNHPCD-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(=O)(C)CC(C)C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896937 |