| SpectraBase Compound ID | G5W1ihySwRY |
|---|---|
| InChI | InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H |
| InChIKey | IDASOVSVRKONFS-UHFFFAOYSA-N |
| Mol Weight | 130.15 g/mol |
| Molecular Formula | C9H6O |
| Exact Mass | 130.041865 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IbnqN4YggF3 |
|---|---|
| Name | 1-Phenyl-propyn-3-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.041864812 u |
| Formula | C9H6O |
| InChI | InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H |
| InChIKey | IDASOVSVRKONFS-UHFFFAOYSA-N |
| SMILES | C(=O)C#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.996739 |