| SpectraBase Compound ID | 5X3JQaozXpV |
|---|---|
| InChI | InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3 |
| InChIKey | CIXAYNMKFFQEFU-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 | BUcsk1a3okW |
|---|---|
| Name | Benzeneacetaldehyde, 4-methyl- |
| 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/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3 |
| InChIKey | CIXAYNMKFFQEFU-UHFFFAOYSA-N |
| Molecular Weight | 134.178 g/mol |
| SMILES | C1(=CC=C(C=C1)C)CC=O |
| Spectrum/Structure Validation Score (Raman) | 0.95984 |