| SpectraBase Compound ID | 9CwNdqrjF6z |
|---|---|
| InChI | InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2 |
| InChIKey | KUIZKZHDMPERHR-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C9H8O |
| Exact Mass | 132.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7XRaUNAUe7p |
|---|---|
| Name | 3-Phenyl-1-propen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.057514877 u |
| Formula | C9H8O |
| InChI | InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2 |
| InChIKey | KUIZKZHDMPERHR-UHFFFAOYSA-N |
| Molecular Weight | 132.162 g/mol |
| SMILES | C(=O)(C=C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883784 |