| SpectraBase Compound ID | 5NoKeKGRKgv |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| InChIKey | ASNMYXOVZLSHRI-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ElBHnM1vACo |
|---|---|
| Name | 3-Buten-1-one, 1-(4-methoxyphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| InChIKey | ASNMYXOVZLSHRI-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C=1C=CC(=CC1)OC)(=O)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942475 |