| SpectraBase Compound ID | DfEfQNtfInP |
|---|---|
| InChI | InChI=1S/C8H8O/c9-8-4-6-2-1-3-7(6)5-8/h2,5H,1,3-4H2 |
| InChIKey | PAXBSDFRMCKWKC-UHFFFAOYSA-N |
| Mol Weight | 120.15 g/mol |
| Molecular Formula | C8H8O |
| Exact Mass | 120.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7jjw8MlHOrt |
|---|---|
| Name | 4,5-Dihydro-2(1H)-pentalenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.057514877 u |
| Formula | C8H8O |
| InChI | InChI=1S/C8H8O/c9-8-4-6-2-1-3-7(6)5-8/h2,5H,1,3-4H2 |
| InChIKey | PAXBSDFRMCKWKC-UHFFFAOYSA-N |
| Molecular Weight | 120.151 g/mol |
| SMILES | C1=C2C(=CCC2)CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829962 |