![3-Oxabicyclo[3.2.1]octan-2-one](/api/spectrum/4stSegbqQlc/structure.png?h=300&w=458 "3-Oxabicyclo[3.2.1]octan-2-one")
| SpectraBase Compound ID | 4A5lGOR0Eq6 |
|---|---|
| InChI | InChI=1S/C7H10O2/c8-7-6-2-1-5(3-6)4-9-7/h5-6H,1-4H2 |
| InChIKey | AKLCTCACZDSMHB-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4stSegbqQlc |
|---|---|
| Name | 3-Oxabicyclo[3.2.1]octan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c8-7-6-2-1-5(3-6)4-9-7/h5-6H,1-4H2 |
| InChIKey | AKLCTCACZDSMHB-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C12C(OCC(CC2)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989675 |