| SpectraBase Compound ID | CF0vz4KV7FS |
|---|---|
| InChI | InChI=1S/C11H18O/c1-10(2,3)8-7-9(12)11(4,5)6/h1-6H3 |
| InChIKey | NVOZRXXONBZHLU-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 77QlWiXn8aD |
|---|---|
| Name | 4-Heptyn-3-one, 2,2,6,6-tetramethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-10(2,3)8-7-9(12)11(4,5)6/h1-6H3 |
| InChIKey | NVOZRXXONBZHLU-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C(#CC(C)(C)C)C(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987004 |