| SpectraBase Compound ID | A7MLtZxezv |
|---|---|
| InChI | InChI=1S/C8H8O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-4H,5-6H2 |
| InChIKey | MOSCBNMEESTOIU-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C8H8O3 |
| Exact Mass | 152.047344 g/mol |
| SpectraBase Spectrum ID | 65w6OM2kiVX |
|---|---|
| Name | 1,4-Dioxaspiro[4.5]deca-6,9-dien-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.047344115 u |
| Formula | C8H8O3 |
| InChI | InChI=1S/C8H8O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-4H,5-6H2 |
| InChIKey | MOSCBNMEESTOIU-UHFFFAOYSA-N |
| Molecular Weight | 152.149 g/mol |
| SMILES | C1(=O)C=CC2(C=C1)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968153 |