| SpectraBase Compound ID | KFjlf18zgl2 |
|---|---|
| InChI | InChI=1S/C8H10O2/c9-6-3-1-5-2-4-7(10)8(5)6/h5,8H,1-4H2 |
| InChIKey | MSGGBGXFVZFZQT-UHFFFAOYSA-N |
| Mol Weight | 138.17 g/mol |
| Molecular Formula | C8H10O2 |
| Exact Mass | 138.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GW2UB1JFMYW |
|---|---|
| Name | 2,3,3A,4,5,6A-Hexahydropentalene-1,6-quinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.068079560 u |
| Formula | C8H10O2 |
| InChI | InChI=1S/C8H10O2/c9-6-3-1-5-2-4-7(10)8(5)6/h5,8H,1-4H2 |
| InChIKey | MSGGBGXFVZFZQT-UHFFFAOYSA-N |
| Molecular Weight | 138.166 g/mol |
| SMILES | C1(=O)CCC2C1C(CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904504 |