| SpectraBase Compound ID | K3yMYvidzdO |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-5-7-9(3,11)10(4,12)8-6-2/h11-12H,1-4H3 |
| InChIKey | MYBYARHWTDWJDT-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5q0HPJLnTT1 |
|---|---|
| Name | 4,5-Dimethyl-2,6-octadiyne-4,5-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-5-7-9(3,11)10(4,12)8-6-2/h11-12H,1-4H3 |
| InChIKey | MYBYARHWTDWJDT-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(C(C(C#CC)(O)C)(O)C)#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855524 |