| SpectraBase Compound ID | jr8Tj05bex |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3 |
| InChIKey | BSMKYQUHXQAVKG-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BrFY5L5PKS5 |
|---|---|
| Name | o-Nitrocumene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3 |
| InChIKey | BSMKYQUHXQAVKG-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | N(=O)(=O)C1=CC=CC=C1C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.971853 |