![6-Bicyclo[5.3.1]undecanone](/api/spectrum/9hKi47fVLva/structure.png?h=300&w=458 "6-Bicyclo[5.3.1]undecanone")
| SpectraBase Compound ID | 5vxvwSGmPlP |
|---|---|
| InChI | InChI=1S/C11H18O/c12-11-7-2-1-4-9-5-3-6-10(11)8-9/h9-10H,1-8H2 |
| InChIKey | JXXQBBVRVFWEJQ-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9hKi47fVLva |
|---|---|
| Name | 6-Bicyclo[5.3.1]undecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c12-11-7-2-1-4-9-5-3-6-10(11)8-9/h9-10H,1-8H2 |
| InChIKey | JXXQBBVRVFWEJQ-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(C2CC(CCCC1)CCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968353 |