![1,4-Dioxaspiro[4.6]undecan-8-one](/api/spectrum/L4BkxfdeK9Y/structure.png?h=300&w=458 "1,4-Dioxaspiro[4.6]undecan-8-one")
| SpectraBase Compound ID | Jz2matQuPm1 |
|---|---|
| InChI | InChI=1S/C9H14O3/c10-8-2-1-4-9(5-3-8)11-6-7-12-9/h1-7H2 |
| InChIKey | IZELAGGXOUSOTJ-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L4BkxfdeK9Y |
|---|---|
| Name | 1,4-Dioxaspiro[4.6]undecan-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c10-8-2-1-4-9(5-3-8)11-6-7-12-9/h1-7H2 |
| InChIKey | IZELAGGXOUSOTJ-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C12(OCCO2)CCC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861471 |