| SpectraBase Compound ID | Cv6XEE3WOtd |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-3-5-7-9-11-14(16,13-15)12-10-8-6-4-2/h15-16H,3-8,13H2,1-2H3 |
| InChIKey | XAJZWQWIZOELBY-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7AKsZqS9vV7 |
|---|---|
| Name | 2-hex-1-Ynyloct-3-yne-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-3-5-7-9-11-14(16,13-15)12-10-8-6-4-2/h15-16H,3-8,13H2,1-2H3 |
| InChIKey | XAJZWQWIZOELBY-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C(O)(C#CCCCC)(C#CCCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968972 |