| SpectraBase Compound ID | 1PuzK4UPdoo |
|---|---|
| InChI | InChI=1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3 |
| InChIKey | ZNBVIYMIVFKTIW-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 | 6GMatEZTkak |
|---|---|
| Name | 4-N-Propylacetophenone |
| 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/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3 |
| InChIKey | ZNBVIYMIVFKTIW-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C1=CC(=CC=C1CCC)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959899 |