| SpectraBase Compound ID | DfgqSlfhGnn |
|---|---|
| InChI | InChI=1S/C10H18O/c1-5-9(6-2)8(4)10(11)7-3/h5,8H,6-7H2,1-4H3/b9-5+ |
| InChIKey | RKUKVMWDOYEDAI-WEVVVXLNSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EUpfu2lJtJH |
|---|---|
| Name | 5-Hepten-3-one, 5-ethyl-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-5-9(6-2)8(4)10(11)7-3/h5,8H,6-7H2,1-4H3/b9-5+ |
| InChIKey | RKUKVMWDOYEDAI-WEVVVXLNSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | C(\C(CC)=C\C)(C(CC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959114 |