| SpectraBase Compound ID | K7KOkIUhBQd |
|---|---|
| InChI | InChI=1S/C9H16O/c1-4-7-9(10)8(5-2)6-3/h4,7-8H,5-6H2,1-3H3/b7-4+ |
| InChIKey | MSXDTHULENTPKK-QPJJXVBHSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 32fXAKx04Sw |
|---|---|
| Name | 5-Ethyl-2-hepten-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-4-7-9(10)8(5-2)6-3/h4,7-8H,5-6H2,1-3H3/b7-4+ |
| InChIKey | MSXDTHULENTPKK-QPJJXVBHSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(=O)(C(CC)CC)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960701 |