| SpectraBase Compound ID | BucgfR1803P |
|---|---|
| InChI | InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3 |
| InChIKey | BIWUZTZFFUMZIG-UHFFFAOYSA-N |
| Mol Weight | 96.13 g/mol |
| Molecular Formula | C6H8O |
| Exact Mass | 96.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1eQlaTWSQfm |
|---|---|
| Name | hex-4-yn-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.057514877 u |
| Formula | C6H8O |
| InChI | InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3 |
| InChIKey | BIWUZTZFFUMZIG-UHFFFAOYSA-N |
| Molecular Weight | 96.129 g/mol |
| SMILES | C(C)#CC(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968501 |