![1-[4-(1,2-Dimethylpropyl)phenyl]ethanone](/api/spectrum/8zJa5DVkmfW/structure.png?h=300&w=458 "1-[4-(1,2-Dimethylpropyl)phenyl]ethanone")
| SpectraBase Compound ID | FLHUMKljbtD |
|---|---|
| InChI | InChI=1S/C13H18O/c1-9(2)10(3)12-5-7-13(8-6-12)11(4)14/h5-10H,1-4H3 |
| InChIKey | FHQOLGVQVVQPIH-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 | 8zJa5DVkmfW |
|---|---|
| Name | 1-[4-(1,2-Dimethylpropyl)phenyl]ethanone |
| 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/c1-9(2)10(3)12-5-7-13(8-6-12)11(4)14/h5-10H,1-4H3 |
| InChIKey | FHQOLGVQVVQPIH-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C=1(C(=O)C)C=CC(=CC1)C(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866063 |