| SpectraBase Compound ID | 6MYlZinx1tN |
|---|---|
| InChI | InChI=1S/C11H10ClN3O2/c1-17-11(16)10-13-9(7-12)15(14-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | XNVBJRHZKRFJGV-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C11H10ClN3O2 |
| Exact Mass | 251.046154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4m546YyFtjG |
|---|---|
| Name | 1H-1,2,4-Triazole-3-carboxylic acid, 5-(chloromethyl)-1-phenyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.046154272 u |
| Formula | C11H10ClN3O2 |
| InChI | InChI=1S/C11H10ClN3O2/c1-17-11(16)10-13-9(7-12)15(14-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | XNVBJRHZKRFJGV-UHFFFAOYSA-N |
| Molecular Weight | 251.673 g/mol |
| SMILES | C1=CC=CC=C1N1C(=NC(=N1)C(OC)=O)CCl |