| SpectraBase Compound ID | ASmJFBGuPZe |
|---|---|
| InChI | InChI=1S/C13H15N3O2/c1-3-18-13(17)12-10(2)16(15-14-12)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3 |
| InChIKey | DERCUHLDCICKMF-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C13H15N3O2 |
| Exact Mass | 245.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5eQxb48fd7 |
|---|---|
| Name | Ethyl 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.116426733 u |
| Formula | C13H15N3O2 |
| InChI | InChI=1S/C13H15N3O2/c1-3-18-13(17)12-10(2)16(15-14-12)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3 |
| InChIKey | DERCUHLDCICKMF-UHFFFAOYSA-N |
| Molecular Weight | 245.282 g/mol |
| SMILES | C=1(N=NN(C1C)CC=1C=CC=CC1)C(=O)OCC |