| SpectraBase Compound ID | 2czt0STGUum |
|---|---|
| InChI | InChI=1S/C8H10O2/c1-2-3-6-7(9)4-5-8(6)10/h2,6H,1,3-5H2 |
| InChIKey | DMZQFYFIHVSEBA-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 | H9QacrPVwza |
|---|---|
| Name | 2-Allylcyclopentane-1,3-dione |
| 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/c1-2-3-6-7(9)4-5-8(6)10/h2,6H,1,3-5H2 |
| InChIKey | DMZQFYFIHVSEBA-UHFFFAOYSA-N |
| Molecular Weight | 138.166 g/mol |
| SMILES | C1(C(C(CC1)=O)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982662 |