| SpectraBase Compound ID | 2kdtc8mbOyT |
|---|---|
| InChI | InChI=1S/C12H18O/c1-6-7-11(12(3,4)5)9-8-10(2)13/h7H,6H2,1-5H3/b11-7+ |
| InChIKey | ZTKWXULDDBEJIE-YRNVUSSQSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HGzkSnrnSsH |
|---|---|
| Name | (5Z)-5-Tert-butyloct-5-en-3-yn-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-6-7-11(12(3,4)5)9-8-10(2)13/h7H,6H2,1-5H3/b11-7+ |
| InChIKey | ZTKWXULDDBEJIE-YRNVUSSQSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | CC(C#C\C(=C/CC)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914095 |