| SpectraBase Compound ID | LFmhaIOz3yt |
|---|---|
| InChI | InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3 |
| InChIKey | POQJHLBMLVTHAU-UHFFFAOYSA-N |
| Mol Weight | 134.18 g/mol |
| Molecular Formula | C9H10O |
| Exact Mass | 134.073165 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H0oTGIzukJR |
|---|---|
| Name | 3,4-Dimethylbenzaldehyde |
| 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/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3 |
| InChIKey | POQJHLBMLVTHAU-UHFFFAOYSA-N |
| Molecular Weight | 134.178 g/mol |
| SMILES | C=1C(=CC=C(C1C)C)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.840068 |