![2-Methyl-4-oxabicyclo[3,2.0]heptan-7-one](/api/spectrum/CNnQsVv7lwH/structure.png?h=300&w=458 "2-Methyl-4-oxabicyclo[3,2.0]heptan-7-one")
| SpectraBase Compound ID | CIXda9KWdDw |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-4-3-9-6-2-5(8)7(4)6/h4,6-7H,2-3H2,1H3 |
| InChIKey | YIWZOJOBZYXVFE-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 | CNnQsVv7lwH |
|---|---|
| Name | 2-Methyl-4-oxabicyclo[3,2.0]heptan-7-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/c1-4-3-9-6-2-5(8)7(4)6/h4,6-7H,2-3H2,1H3 |
| InChIKey | YIWZOJOBZYXVFE-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C1(C2C(COC2C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899191 |