| SpectraBase Compound ID | KJxN0vybOJr |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-11-9-7-5-3-4-6-8-10-12-2/h3-4,9-10H2,1-2H3 |
| InChIKey | GXJWHJCCVWBPLQ-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 | E93sWuZzUTX |
|---|---|
| Name | 2,6-Octadiyne, 1,8-dimethoxy- |
| 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/c1-11-9-7-5-3-4-6-8-10-12-2/h3-4,9-10H2,1-2H3 |
| InChIKey | GXJWHJCCVWBPLQ-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(#CCCC#CCOC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952313 |