![1-Oxaspiro[4.6]undecan-2-one](/api/spectrum/D1VBADQvsxj/structure.png?h=300&w=458 "1-Oxaspiro[4.6]undecan-2-one")
| SpectraBase Compound ID | 3TBeVFEcEva |
|---|---|
| InChI | InChI=1S/C10H16O2/c11-9-5-8-10(12-9)6-3-1-2-4-7-10/h1-8H2 |
| InChIKey | IRLOXNABJNDEKF-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 | D1VBADQvsxj |
|---|---|
| Name | 1-Oxaspiro[4.6]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/c11-9-5-8-10(12-9)6-3-1-2-4-7-10/h1-8H2 |
| InChIKey | IRLOXNABJNDEKF-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(OC2(CC1)CCCCCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923908 |