![4,4-Dimethyl-6-exomethylbicyclo[3.1.0]pyran-2-one](/api/spectrum/KZVhtF2Yxnr/structure.png?h=300&w=458 "4,4-Dimethyl-6-exomethylbicyclo[3.1.0]pyran-2-one")
| SpectraBase Compound ID | 7Fe5Pzu0XPx |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-5-6(7(9)10-4)8(5,2)3/h4-6H,1-3H3 |
| InChIKey | QVPNLDKDGMGOAR-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KZVhtF2Yxnr |
|---|---|
| Name | 4,4-Dimethyl-6-exomethylbicyclo[3.1.0]pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-5-6(7(9)10-4)8(5,2)3/h4-6H,1-3H3 |
| InChIKey | QVPNLDKDGMGOAR-UHFFFAOYSA-N |
| SMILES | C12C(C)(C)C2C(C)OC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85821 |