| SpectraBase Compound ID | GpdEUQ8kdnj |
|---|---|
| InChI | InChI=1S/C13H20O/c1-10(2)9-12(13(4,5)6)8-7-11(3)14/h9-10H,1-6H3/b12-9+ |
| InChIKey | SMKNRFDTJXTCPT-FMIVXFBMSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8pcjQbtwaI4 |
|---|---|
| Name | (Z)-5-Tert-butyl-7-methyloct-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 | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-10(2)9-12(13(4,5)6)8-7-11(3)14/h9-10H,1-6H3/b12-9+ |
| InChIKey | SMKNRFDTJXTCPT-FMIVXFBMSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | CC(C#C\C(=C/C(C)C)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917746 |