| SpectraBase Compound ID | HUDfkVELAeA |
|---|---|
| InChI | InChI=1S/C12H11N3O4/c1-18-11(16)9-10(12(17)19-2)15(14-13-9)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | KCKQEVLPVNRLNX-UHFFFAOYSA-N |
| Mol Weight | 261.24 g/mol |
| Molecular Formula | C12H11N3O4 |
| Exact Mass | 261.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPdWuxRZaNx |
|---|---|
| Name | Methyl 1-phenyl-1,2,3-triazole-4,5-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.074955842 u |
| Formula | C12H11N3O4 |
| InChI | InChI=1S/C12H11N3O4/c1-18-11(16)9-10(12(17)19-2)15(14-13-9)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | KCKQEVLPVNRLNX-UHFFFAOYSA-N |
| Molecular Weight | 261.237 g/mol |
| SMILES | C1(=C(C(OC)=O)N(C2=CC=CC=C2)N=N1)C(OC)=O |