| SpectraBase Compound ID | 9M8g1CtFSYy |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7H,3,8H2,1-2H3 |
| InChIKey | QFAYQKVAKVNBNG-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQbTf4FwVy0 |
|---|---|
| Name | 1-(4-Ethoxyphenyl)acetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7H,3,8H2,1-2H3 |
| InChIKey | QFAYQKVAKVNBNG-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=CC=C(C=C1)CC(=O)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973566 |