![4-Hexan-5-on-3,6-dimethyl-2,6-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine](/api/spectrum/1PFcy67pE7b/structure.png?h=300&w=458 "4-Hexan-5-on-3,6-dimethyl-2,6-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine")
| SpectraBase Compound ID | 3GWVcMre6nz |
|---|---|
| InChI | InChI=1S/C12H17N5O3/c1-8(18)6-4-5-7-17-10-9(13-14-16(10)3)11(19)15(2)12(17)20/h4-7H2,1-3H3 |
| InChIKey | MOZPVNHQXDBUEW-UHFFFAOYSA-N |
| Mol Weight | 279.3 g/mol |
| Molecular Formula | C12H17N5O3 |
| Exact Mass | 279.133139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PFcy67pE7b |
|---|---|
| Name | 4-Hexan-5-on-3,6-dimethyl-2,6-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 | 279.133139424 u |
| Formula | C12H17N5O3 |
| InChI | InChI=1S/C12H17N5O3/c1-8(18)6-4-5-7-17-10-9(13-14-16(10)3)11(19)15(2)12(17)20/h4-7H2,1-3H3 |
| InChIKey | MOZPVNHQXDBUEW-UHFFFAOYSA-N |
| SMILES | C1(N(C(N(C=2N(N=NC12)C)CCCCC(C)=O)=O)C)=O |