![Bicyclo[10.1.0]tridecan-2-one](/api/spectrum/KbOiqgCtkVq/structure.png?h=300&w=458 "Bicyclo[10.1.0]tridecan-2-one")
| SpectraBase Compound ID | B9fc3IN7n6j |
|---|---|
| InChI | InChI=1S/C13H22O/c14-13-9-7-5-3-1-2-4-6-8-11-10-12(11)13/h11-12H,1-10H2 |
| InChIKey | ADWGMYXROWLCCQ-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KbOiqgCtkVq |
|---|---|
| Name | Bicyclo[10.1.0]tridecan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c14-13-9-7-5-3-1-2-4-6-8-11-10-12(11)13/h11-12H,1-10H2 |
| InChIKey | ADWGMYXROWLCCQ-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C12C(CCCCCCCCCC2C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91224 |