| SpectraBase Compound ID | 8S7VO16opxo |
|---|---|
| InChI | InChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-3,6-8H,4-5H2,1H3 |
| InChIKey | BOPCAWBPVSVBMM-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DlvXN4gU6xK |
|---|---|
| Name | 6-Methyl-3-cyclohexen-1-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-3,6-8H,4-5H2,1H3 |
| InChIKey | BOPCAWBPVSVBMM-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1C(C(CC=C1)C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978758 |