| SpectraBase Compound ID | 9xzZmlGc33Y |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-8H,1-3H3 |
| InChIKey | SCBSHTCRFXBYQN-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 | Jie8AXFU9m4 |
|---|---|
| Name | 2-(4-Methoxyphenyl)-2-methyl-propanal |
| 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/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-8H,1-3H3 |
| InChIKey | SCBSHTCRFXBYQN-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| Nominal Mass | 178 u |
| SMILES | c1cc(ccc1OC)C(C)(C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89025 |