| SpectraBase Compound ID | 4ashDgpFTWk |
|---|---|
| InChI | InChI=1S/C10H8O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,1H3 |
| InChIKey | WXARMJLBTQMGRF-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C10H8O |
| Exact Mass | 144.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IiBgLkv94UB |
|---|---|
| Name | 3-(4-Methylphenyl)-2-propynal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.057514877 u |
| Formula | C10H8O |
| InChI | InChI=1S/C10H8O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,1H3 |
| InChIKey | WXARMJLBTQMGRF-UHFFFAOYSA-N |
| Molecular Weight | 144.173 g/mol |
| SMILES | C=1C=C(C#CC=O)C=CC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930606 |