| SpectraBase Compound ID | 7KMV8VrNrdx |
|---|---|
| InChI | 1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3 |
| InChIKey | TWLBRQVYXPMCFK-UHFFFAOYSA-N |
| Mol Weight | 121.14 g/mol |
| Molecular Formula | C7H7NO |
| Exact Mass | 121.052764 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KBzKHvVmaQF |
|---|---|
| Name | 2-Methyl-nitrosobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.052763848 u |
| Formula | C7H7NO |
| InChI | InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3 |
| InChIKey | TWLBRQVYXPMCFK-UHFFFAOYSA-N |
| Molecular Weight | 121.139 g/mol |
| SMILES | C=1(N=O)C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.847367 |