![1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione](/api/spectrum/L2HG4G7i7qq/structure.png?h=300&w=458 "1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione")
| SpectraBase Compound ID | ITJxHjFlgNF |
|---|---|
| InChI | InChI=1S/C9H8O3/c10-7-1-4-9(5-2-7)6-3-8(11)12-9/h1-2,4-5H,3,6H2 |
| InChIKey | CIZAZAUFIRYVPV-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2HG4G7i7qq |
|---|---|
| Name | 1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c10-7-1-4-9(5-2-7)6-3-8(11)12-9/h1-2,4-5H,3,6H2 |
| InChIKey | CIZAZAUFIRYVPV-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C1(C=CC2(C=C1)OC(=O)CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884837 |