| SpectraBase Compound ID | AJwmQOlSy0b |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-8(2,7-10)5-3-4-6-9/h9-10H,4,6-7H2,1-2H3 |
| InChIKey | AOZZEFOGOYDVOJ-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | InsDzIdr0l4 |
|---|---|
| Name | 2,2-Dimethyl-3-hexyne-1,6-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-8(2,7-10)5-3-4-6-9/h9-10H,4,6-7H2,1-2H3 |
| InChIKey | AOZZEFOGOYDVOJ-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(C#CCCO)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952827 |