| SpectraBase Compound ID | LCcXleGUZa5 |
|---|---|
| InChI | InChI=1S/C3H8N2O2/c1-2-3-4-5(6)7/h4H,2-3H2,1H3 |
| InChIKey | MCROFHCOHPROAE-UHFFFAOYSA-N |
| Mol Weight | 104.11 g/mol |
| Molecular Formula | C3H8N2O2 |
| Exact Mass | 104.058578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6w5xpvWoAci |
|---|---|
| Name | 1-Propanamine, N-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.058577504 u |
| Formula | C3H8N2O2 |
| InChI | InChI=1S/C3H8N2O2/c1-2-3-4-5(6)7/h4H,2-3H2,1H3 |
| InChIKey | MCROFHCOHPROAE-UHFFFAOYSA-N |
| SMILES | CCCNN(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932658 |