| SpectraBase Compound ID | 1XMi1gcdAD8 |
|---|---|
| InChI | InChI=1S/C9H8O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,1H3 |
| InChIKey | UVMNSCYLLPXYPB-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 | GGXIvWsGNV5 |
|---|---|
| Name | 4-Prop-1-ynylphenol |
| 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/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,1H3 |
| InChIKey | UVMNSCYLLPXYPB-UHFFFAOYSA-N |
| Molecular Weight | 132.162 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865843 |