![2-Oxabicyclo[4.5.0]undecan-3-one](/api/spectrum/CWdmpwb1ppI/structure.png?h=300&w=458 "2-Oxabicyclo[4.5.0]undecan-3-one")
| SpectraBase Compound ID | FdAQ8T9Idib |
|---|---|
| InChI | InChI=1S/C10H16O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h8-9H,1-7H2 |
| InChIKey | LKZRYPFZNQHSCZ-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CWdmpwb1ppI |
|---|---|
| Name | 2-Oxabicyclo[4.5.0]undecan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c11-10-7-6-8-4-2-1-3-5-9(8)12-10/h8-9H,1-7H2 |
| InChIKey | LKZRYPFZNQHSCZ-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C12OC(CCC2CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857208 |