![1-Oxaspiro-[5.5]-undecan-2-one](/api/spectrum/8423jD1lJO3/structure.png?h=300&w=458 "1-Oxaspiro-[5.5]-undecan-2-one")
| SpectraBase Compound ID | FD3V4Zx5EEL |
|---|---|
| InChI | InChI=1S/C10H16O2/c11-9-5-4-8-10(12-9)6-2-1-3-7-10/h1-8H2 |
| InChIKey | KRSNUDOGPSONQI-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 | 8423jD1lJO3 |
|---|---|
| Name | 1-Oxaspiro-[5.5]-undecan-2-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/c11-9-5-4-8-10(12-9)6-2-1-3-7-10/h1-8H2 |
| InChIKey | KRSNUDOGPSONQI-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C12(OC(CCC2)=O)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966005 |