![2-[5-(3-Nitrophenyl)-2H-1,2,4-triazol-3-yl]ethanamine](/api/spectrum/LX62FyrLXe0/structure.png?h=300&w=458 "2-[5-(3-Nitrophenyl)-2H-1,2,4-triazol-3-yl]ethanamine")
| SpectraBase Compound ID | 4eB2Yw7M6rd |
|---|---|
| InChI | InChI=1S/C10H11N5O2/c11-5-4-9-12-10(14-13-9)7-2-1-3-8(6-7)15(16)17/h1-3,6H,4-5,11H2,(H,12,13,14) |
| InChIKey | IOFARJZAWHBNIB-UHFFFAOYSA-N |
| Mol Weight | 233.23 g/mol |
| Molecular Formula | C10H11N5O2 |
| Exact Mass | 233.091275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LX62FyrLXe0 |
|---|---|
| Name | 2-[5-(3-Nitrophenyl)-2H-1,2,4-triazol-3-yl]ethanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.091274612 u |
| Formula | C10H11N5O2 |
| InChI | InChI=1S/C10H11N5O2/c11-5-4-9-12-10(14-13-9)7-2-1-3-8(6-7)15(16)17/h1-3,6H,4-5,11H2,(H,12,13,14) |
| InChIKey | IOFARJZAWHBNIB-UHFFFAOYSA-N |
| Molecular Weight | 233.231 g/mol |
| SMILES | C1(N(=O)=O)=CC=CC(=C1)C=1N=C(CCN)NN1 |