| SpectraBase Compound ID | 8qIHGBCRPsh |
|---|---|
| InChI | InChI=1S/C10H8O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,1H3 |
| InChIKey | UUHRJWZMOJWQAF-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C10H8O2 |
| Exact Mass | 160.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 62sfGPYcVSu |
|---|---|
| Name | 3-(4-Methoxyphenyl)propiolaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.052429496 u |
| Formula | C10H8O2 |
| InChI | InChI=1S/C10H8O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-8H,1H3 |
| InChIKey | UUHRJWZMOJWQAF-UHFFFAOYSA-N |
| Molecular Weight | 160.172 g/mol |
| SMILES | C=1C=C(C#CC=O)C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916248 |