| SpectraBase Compound ID | 4rVmJOVrMJ4 |
|---|---|
| InChI | InChI=1S/C13H13N3O4/c1-19-12(17)10-11(13(18)20-2)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | VJJJUFPCCWACER-UHFFFAOYSA-N |
| Mol Weight | 275.26 g/mol |
| Molecular Formula | C13H13N3O4 |
| Exact Mass | 275.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DM7No6smzNV |
|---|---|
| Name | Dimethyl 1-benzyl-1H-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 | 275.090605907 u |
| Formula | C13H13N3O4 |
| InChI | InChI=1S/C13H13N3O4/c1-19-12(17)10-11(13(18)20-2)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | VJJJUFPCCWACER-UHFFFAOYSA-N |
| SMILES | C=1(N=NN(CC=2C=CC=CC2)C1C(OC)=O)C(OC)=O |