| SpectraBase Compound ID | K57rRV5e0mC |
|---|---|
| InChI | InChI=1S/C11H11N3O2/c1-16-10-4-2-9(3-5-10)6-11(15)14-8-12-7-13-14/h2-5,7-8H,6H2,1H3 |
| InChIKey | KKHHFIYHPFSMRH-UHFFFAOYSA-N |
| Mol Weight | 217.23 g/mol |
| Molecular Formula | C11H11N3O2 |
| Exact Mass | 217.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71jAWQSTYuC |
|---|---|
| Name | 2-(4-Methoxyphenyl)-1-(1,2,4-triazol-1-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.085126604 u |
| Formula | C11H11N3O2 |
| InChI | InChI=1S/C11H11N3O2/c1-16-10-4-2-9(3-5-10)6-11(15)14-8-12-7-13-14/h2-5,7-8H,6H2,1H3 |
| InChIKey | KKHHFIYHPFSMRH-UHFFFAOYSA-N |
| Molecular Weight | 217.228 g/mol |
| SMILES | C(N1N=CN=C1)(CC=1C=CC(=CC1)OC)=O |