![3-Oxabicyclo[3.3.0]oct-7-en-2-one](/api/spectrum/Eo6tPQMCbUL/structure.png?h=300&w=458 "3-Oxabicyclo[3.3.0]oct-7-en-2-one")
| SpectraBase Compound ID | GuFsZ35dC1b |
|---|---|
| InChI | InChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-6H,2,4H2 |
| InChIKey | XXWUEMGUAVSRJZ-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eo6tPQMCbUL |
|---|---|
| Name | 3-Oxabicyclo[3.3.0]oct-7-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-6H,2,4H2 |
| InChIKey | XXWUEMGUAVSRJZ-UHFFFAOYSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C1(OCC2C1C=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943919 |