| SpectraBase Compound ID | DNllyY8mGs4 |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3 |
| InChIKey | VORQMPSCRBRONH-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 | KIB5EkIqjzf |
|---|---|
| Name | 2-Methyl-1-phenyl-4-penten-1-one |
| 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/c1-3-7-10(2)12(13)11-8-5-4-6-9-11/h3-6,8-10H,1,7H2,2H3 |
| InChIKey | VORQMPSCRBRONH-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932705 |