| SpectraBase Compound ID | Azm06VHuQPG |
|---|---|
| InChI | InChI=1S/C12H12O/c1-10-6-8-12(9-7-10)5-3-4-11(2)13/h4-9H,1-2H3 |
| InChIKey | SSAYYTCXVOFOCG-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bjU1WIiDoU |
|---|---|
| Name | 5-(4-Methylphenyl)penta-3,4-dien-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-10-6-8-12(9-7-10)5-3-4-11(2)13/h4-9H,1-2H3 |
| InChIKey | SSAYYTCXVOFOCG-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | CC(C=C=CC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80336 |