| SpectraBase Compound ID | JFnmVUo1EiV |
|---|---|
| InChI | InChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h5-8H,3-4H2,1-2H3/b6-5+,8-7+ |
| InChIKey | JETNPTUJXPNCAS-BSWSSELBSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 88cetEQwexc |
|---|---|
| Name | (3E,5E)-Nona-3,5-dien-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h5-8H,3-4H2,1-2H3/b6-5+,8-7+ |
| InChIKey | JETNPTUJXPNCAS-BSWSSELBSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C(=O)(C)\C=C\C=C\CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910798 |