| SpectraBase Compound ID | 6fXzEoVLdLC |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h11H,2-4,6,8-9H2,1H3 |
| InChIKey | YGWBJHZZFXGDKT-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B16sCy7PD3H |
|---|---|
| Name | 6-Butyl-4-oxohex-5-yn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h11H,2-4,6,8-9H2,1H3 |
| InChIKey | YGWBJHZZFXGDKT-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(CCC(C#CCCCC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816598 |