| SpectraBase Compound ID | BfovatUCI6n |
|---|---|
| InChI | InChI=1S/C11H14O/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-8H,1-3H3 |
| InChIKey | JYTHSLNJXAEHQT-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 | DzCTvZUHMaH |
|---|---|
| Name | 1-(3-Isopropylphenyl)ethanone |
| 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)10-5-4-6-11(7-10)9(3)12/h4-8H,1-3H3 |
| InChIKey | JYTHSLNJXAEHQT-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C(C)(C=1C=C(C=CC1)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944573 |