| SpectraBase Compound ID | D63jkf4iQZT |
|---|---|
| InChI | InChI=1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3 |
| InChIKey | IKSRCCUOUJJGAU-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C7H8N2O2 |
| Exact Mass | 152.058578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1SODcniabDP |
|---|---|
| Name | Benzenamine, N-methyl-3-nitro- |
| 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/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3 |
| InChIKey | IKSRCCUOUJJGAU-UHFFFAOYSA-N |
| SMILES | C1=CC(N(=O)=O)=CC(=C1)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97141 |