![3-Benzyl-4,6-dimethyl-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine](/api/spectrum/6HttnEGeVjv/structure.png?h=300&w=458 "3-Benzyl-4,6-dimethyl-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine")
| SpectraBase Compound ID | CZ9lJaJNDHi |
|---|---|
| InChI | InChI=1S/C13H13N5O2/c1-16-11-10(12(19)17(2)13(16)20)14-15-18(11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | CKWRMPJEJAJWOF-UHFFFAOYSA-N |
| Mol Weight | 271.28 g/mol |
| Molecular Formula | C13H13N5O2 |
| Exact Mass | 271.106925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HttnEGeVjv |
|---|---|
| Name | 3-Benzyl-4,6-dimethyl-dioxo-4,5,6,7-tetrahydro-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 | 271.106924677 u |
| Formula | C13H13N5O2 |
| InChI | InChI=1S/C13H13N5O2/c1-16-11-10(12(19)17(2)13(16)20)14-15-18(11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | CKWRMPJEJAJWOF-UHFFFAOYSA-N |
| SMILES | C1(N(C(N(C=2N(N=NC12)CC1=CC=CC=C1)C)=O)C)=O |