| SpectraBase Compound ID | ILtWDMf4GB2 |
|---|---|
| InChI | InChI=1S/C12H12O/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-7,9H,1-2H3 |
| InChIKey | LJZAZQKELWQNSH-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 | 3lbVGCrFNyc |
|---|---|
| Name | 5-Phenylhexa-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(8-9-11(2)13)12-6-4-3-5-7-12/h3-7,9H,1-2H3 |
| InChIKey | LJZAZQKELWQNSH-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | CC(C=C=C(C)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825298 |