![2-[5-(3-Methoxyphenyl)-2H-1,2,4-triazol-3-yl]ethanamine](/api/spectrum/JMFF0ijC5Rb/structure.png?h=300&w=458 "2-[5-(3-Methoxyphenyl)-2H-1,2,4-triazol-3-yl]ethanamine")
| SpectraBase Compound ID | 9js3ot0kDNy |
|---|---|
| InChI | InChI=1S/C11H14N4O/c1-16-9-4-2-3-8(7-9)11-13-10(5-6-12)14-15-11/h2-4,7H,5-6,12H2,1H3,(H,13,14,15) |
| InChIKey | ANFLDPDPIGOERD-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C11H14N4O |
| Exact Mass | 218.116761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMFF0ijC5Rb |
|---|---|
| Name | 2-[5-(3-Methoxyphenyl)-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 | 218.116761086 u |
| Formula | C11H14N4O |
| InChI | InChI=1S/C11H14N4O/c1-16-9-4-2-3-8(7-9)11-13-10(5-6-12)14-15-11/h2-4,7H,5-6,12H2,1H3,(H,13,14,15) |
| InChIKey | ANFLDPDPIGOERD-UHFFFAOYSA-N |
| Molecular Weight | 218.260 g/mol |
| SMILES | C1=C(C=CC=C1OC)C=1N=C(CCN)NN1 |