| SpectraBase Compound ID | 2UaIBX33KTv |
|---|---|
| InChI | InChI=1S/C12H14O/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3 |
| InChIKey | YVSVBBOOERFCLA-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5QsAbknJ4g2 |
|---|---|
| Name | 3-Buten-1-one, 2,2-dimethyl-1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-4-12(2,3)11(13)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3 |
| InChIKey | YVSVBBOOERFCLA-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1=CC(C(C(C)(C=C)C)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921761 |