![3-Pyridinemethanamine, N-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-](/api/spectrum/LKKmBr4FHIb/structure.png?h=300&w=458 "3-Pyridinemethanamine, N-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-")
| SpectraBase Compound ID | LLoFqf2xQha |
|---|---|
| InChI | InChI=1S/C13H12N6/c1-2-6-12(11(5-1)13-16-18-19-17-13)15-9-10-4-3-7-14-8-10/h1-8,15H,9H2,(H,16,17,18,19) |
| InChIKey | CLYYYVYGJYUWCZ-UHFFFAOYSA-N |
| Mol Weight | 252.28 g/mol |
| Molecular Formula | C13H12N6 |
| Exact Mass | 252.112344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKKmBr4FHIb |
|---|---|
| Name | 3-Pyridinemethanamine, N-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.112344410 u |
| Formula | C13H12N6 |
| InChI | InChI=1S/C13H12N6/c1-2-6-12(11(5-1)13-16-18-19-17-13)15-9-10-4-3-7-14-8-10/h1-8,15H,9H2,(H,16,17,18,19) |
| InChIKey | CLYYYVYGJYUWCZ-UHFFFAOYSA-N |
| Molecular Weight | 252.281 g/mol |
| SMILES | C1(=NN=NN1)C1=C(NCC=2C=NC=CC2)C=CC=C1 |