| SpectraBase Compound ID | Dt3QMpmXa8a |
|---|---|
| InChI | InChI=1S/C8H10O/c1-8(7-9)5-3-2-4-6-8/h3-7H,2H2,1H3 |
| InChIKey | JXEKJSZFQMPBFT-UHFFFAOYSA-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 | HnoQe9sqrnF |
|---|---|
| Name | 1-Methyl-1-cyclohexa-2,5-dienecarboxaldehyde |
| 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/c1-8(7-9)5-3-2-4-6-8/h3-7H,2H2,1H3 |
| InChIKey | JXEKJSZFQMPBFT-UHFFFAOYSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C1(C=CCC=C1)(C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970097 |