| SpectraBase Compound ID | L9MVJSZkI0 |
|---|---|
| InChI | InChI=1S/C9H8O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3 |
| InChIKey | NGKHHEDLAUNMFD-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C9H8O2 |
| Exact Mass | 148.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | jFTzxUbZKN |
|---|---|
| Name | 1-(4-Tolyl)glyoxal; benzeneacetaldehyde, 4-methyl-alpha-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.052429496 u |
| Formula | C9H8O2 |
| InChI | InChI=1S/C9H8O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-6H,1H3 |
| InChIKey | NGKHHEDLAUNMFD-UHFFFAOYSA-N |
| Molecular Weight | 148.161 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.941218 |