| SpectraBase Compound ID | 84LSBtxsaPr |
|---|---|
| InChI | InChI=1S/C12H14O/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3/b10-9+ |
| InChIKey | KYMGBHCMGAYDGJ-MDZDMXLPSA-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 | 4mAFXkpbEdV |
|---|---|
| Name | 4-Penten-2-one, 4-methyl-5-phenyl-, (E)- |
| 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/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3/b10-9+ |
| InChIKey | KYMGBHCMGAYDGJ-MDZDMXLPSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1(\C=C\(CC(=O)C)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921686 |