| SpectraBase Compound ID | CFq6cYInBZJ |
|---|---|
| InChI | InChI=1S/C12H20/c1-11(2,3)9-7-8-10-12(4,5)6/h7,9H,1-6H3/b9-7+ |
| InChIKey | SJKGMWBQDQMRKQ-VQHVLOKHSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7bBuMmZuK30 |
|---|---|
| Name | 3-Octen-5-yne, 2,2,7,7-tetramethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.156500644 u |
| Formula | C12H20 |
| InChI | InChI=1S/C12H20/c1-11(2,3)9-7-8-10-12(4,5)6/h7,9H,1-6H3/b9-7+ |
| InChIKey | SJKGMWBQDQMRKQ-VQHVLOKHSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | C(\C=C\C#CC(C)(C)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972052 |