| SpectraBase Compound ID | JL6s6zAImYf |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-8(10)9-5-3-2-4-6-11-7-9/h9H,2-7H2,1H3 |
| InChIKey | FADQSPDUBBTNFD-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4c23A3khcV4 |
|---|---|
| Name | 1-(3-Oxocanyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-8(10)9-5-3-2-4-6-11-7-9/h9H,2-7H2,1H3 |
| InChIKey | FADQSPDUBBTNFD-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C1COCCCCC1)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98347 |