| SpectraBase Compound ID | KaSCiVajNl9 |
|---|---|
| InChI | InChI=1S/C8H10O/c9-8-6-4-2-1-3-5-7-8/h1-2,5,7H,3-4,6H2/b2-1-,7-5- |
| InChIKey | RRGABRVOWQSLPI-PQZOIKATSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GSs5FwiittZ |
|---|---|
| Name | 2,5-Cyclooctadien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c9-8-6-4-2-1-3-5-7-8/h1-2,5,7H,3-4,6H2/b2-1-,7-5- |
| InChIKey | RRGABRVOWQSLPI-PQZOIKATSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C1CC(=O)\C=C/C\C=C/1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857347 |