| SpectraBase Compound ID | GHDhw30Kyf0 |
|---|---|
| InChI | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | VLKIRFAISMBUCB-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gk3fHeZWjIZ |
|---|---|
| Name | 1-Propanone, 2-methyl-1-(4-methylphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | VLKIRFAISMBUCB-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | CC1=CC=C(C(C(C)C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940185 |