| SpectraBase Compound ID | AYJLJBFqnRN |
|---|---|
| InChI | InChI=1S/C8H11N3O2/c1-10(2)7-3-6(9)4-8(5-7)11(12)13/h3-5H,9H2,1-2H3 |
| InChIKey | GBFODYVTIHITQF-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C8H11N3O2 |
| Exact Mass | 181.085127 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9wb5R1qPXBP |
|---|---|
| Name | 1-N,1-N-Dimethyl-5-nitrobenzene-1,3-diamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.085126604 u |
| Formula | C8H11N3O2 |
| InChI | InChI=1S/C8H11N3O2/c1-10(2)7-3-6(9)4-8(5-7)11(12)13/h3-5H,9H2,1-2H3 |
| InChIKey | GBFODYVTIHITQF-UHFFFAOYSA-N |
| Molecular Weight | 181.195 g/mol |
| SMILES | C1(=CC(=CC(=C1)N)N(C)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968255 |