| SpectraBase Compound ID | G72WcwGJBZc |
|---|---|
| InChI | InChI=1S/C9H10O/c1-2-8-4-3-5-9(6-8)7-10/h3-7H,2H2,1H3 |
| InChIKey | LLYXUFQXCNIGDG-UHFFFAOYSA-N |
| Mol Weight | 134.18 g/mol |
| Molecular Formula | C9H10O |
| Exact Mass | 134.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G47XIGRimu9 |
|---|---|
| Name | Benzaldehyde, 3-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.073164941 u |
| Formula | C9H10O |
| InChI | InChI=1S/C9H10O/c1-2-8-4-3-5-9(6-8)7-10/h3-7H,2H2,1H3 |
| InChIKey | LLYXUFQXCNIGDG-UHFFFAOYSA-N |
| Molecular Weight | 134.178 g/mol |
| SMILES | CCC1=CC=CC(=C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934866 |