| SpectraBase Compound ID | Kw6gbglOWs0 |
|---|---|
| InChI | InChI=1S/C8H10O3/c9-6-2-1-3-7(10)8(11)5-4-6/h1-5H2 |
| InChIKey | VRYMLELUSZYETL-UHFFFAOYSA-N |
| Mol Weight | 154.16 g/mol |
| Molecular Formula | C8H10O3 |
| Exact Mass | 154.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KfMuZcNbYot |
|---|---|
| Name | Cyclooctane-1,2,5-trione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.062994179 u |
| Formula | C8H10O3 |
| InChI | InChI=1S/C8H10O3/c9-6-2-1-3-7(10)8(11)5-4-6/h1-5H2 |
| InChIKey | VRYMLELUSZYETL-UHFFFAOYSA-N |
| SMILES | C1(CCCC(C(CC1)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941452 |