![[1-(3-Methylbenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate](/api/spectrum/8Cg4aa2sv3a/structure.png?h=300&w=458 "[1-(3-Methylbenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate")
| SpectraBase Compound ID | 2BkwnicRTdP |
|---|---|
| InChI | InChI=1S/C16H20N4O2/c1-13-5-4-6-14(9-13)10-20-11-15(17-18-20)12-22-16(21)19-7-2-3-8-19/h4-6,9,11H,2-3,7-8,10,12H2,1H3 |
| InChIKey | HOWISOVSOXEPOE-UHFFFAOYSA-N |
| Mol Weight | 300.36 g/mol |
| Molecular Formula | C16H20N4O2 |
| Exact Mass | 300.158626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Cg4aa2sv3a |
|---|---|
| Name | [1-(3-Methylbenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.158625898 u |
| Formula | C16H20N4O2 |
| InChI | InChI=1S/C16H20N4O2/c1-13-5-4-6-14(9-13)10-20-11-15(17-18-20)12-22-16(21)19-7-2-3-8-19/h4-6,9,11H,2-3,7-8,10,12H2,1H3 |
| InChIKey | HOWISOVSOXEPOE-UHFFFAOYSA-N |
| SMILES | C1N(CCC1)C(=O)OCC=1N=NN(C1)CC1=CC(=CC=C1)C |