| SpectraBase Compound ID | 30RHuzXnM2n |
|---|---|
| InChI | InChI=1S/C9H13N3O2/c10-6-8(11)5-7-1-3-9(4-2-7)12(13)14/h1-4,8H,5-6,10-11H2 |
| InChIKey | ZXKYADWCFXHGDX-UHFFFAOYSA-N |
| Mol Weight | 195.22 g/mol |
| Molecular Formula | C9H13N3O2 |
| Exact Mass | 195.100777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | uIRXiilns6 |
|---|---|
| Name | 3-(4-Nitrophenyl)propan-1,2-diamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.100776669 u |
| Formula | C9H13N3O2 |
| InChI | InChI=1S/C9H13N3O2/c10-6-8(11)5-7-1-3-9(4-2-7)12(13)14/h1-4,8H,5-6,10-11H2 |
| InChIKey | ZXKYADWCFXHGDX-UHFFFAOYSA-N |
| Molecular Weight | 195.222 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)CC(N)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981524 |