| SpectraBase Compound ID | K7jjEimTGWK |
|---|---|
| InChI | 1S/C7H8N2O2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,8H2,1H3 |
| InChIKey | VDCZKCIEXGXCDJ-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C7H8N2O2 |
| Exact Mass | 152.058578 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GIooKTQkmHE |
|---|---|
| Name | 3-Methyl-2-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.058577504 u |
| Formula | C7H8N2O2 |
| InChI | InChI=1S/C7H8N2O2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,8H2,1H3 |
| InChIKey | VDCZKCIEXGXCDJ-UHFFFAOYSA-N |
| SMILES | C=1([N+]([O-])=O)C(N)=CC=CC1C |
| Spectrum/Structure Validation Score (Raman) | 0.927062 |