![7-Amino-3-(2-ethenyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine](/api/spectrum/ElEOqVDKanT/structure.png?h=300&w=458 "7-Amino-3-(2-ethenyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine")
| SpectraBase Compound ID | JjCIFYz9CSh |
|---|---|
| InChI | InChI=1S/C7H8N6/c1-2-3-13-7-5(11-12-13)6(8)9-4-10-7/h2,4H,1,3H2,(H2,8,9,10) |
| InChIKey | CLOOJJIVLZIHBC-UHFFFAOYSA-N |
| Mol Weight | 176.18 g/mol |
| Molecular Formula | C7H8N6 |
| Exact Mass | 176.081044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElEOqVDKanT |
|---|---|
| Name | 7-Amino-3-(2-ethenyl)-3H-1,2,3-triazolo[4,5-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.081044282 u |
| Formula | C7H8N6 |
| InChI | InChI=1S/C7H8N6/c1-2-3-13-7-5(11-12-13)6(8)9-4-10-7/h2,4H,1,3H2,(H2,8,9,10) |
| InChIKey | CLOOJJIVLZIHBC-UHFFFAOYSA-N |
| SMILES | C1=2N=NN(C2N=CN=C1N)CC=C |