| SpectraBase Compound ID | 8zB32fmr5kY |
|---|---|
| InChI | InChI=1S/C12H14O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChIKey | VDTLQEZXJNRBJP-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 | AtMzoc0WIOD |
|---|---|
| Name | 3-Penten-1-one, 4-methyl-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/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
| InChIKey | VDTLQEZXJNRBJP-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(CC=C(C)C)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973669 |