| SpectraBase Compound ID | L1kiLxYTKBL |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-4-8-11(2)13(14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | PCCLEOLQLOSQKA-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 55D0LtyNDOn |
|---|---|
| Name | 2-Methyl-1-phenyl-1-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-3-4-8-11(2)13(14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3 |
| InChIKey | PCCLEOLQLOSQKA-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(C(CCCC)C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979273 |