![3-Benzyl-6-methyl-4-prop-2-in-1-yl-2,6-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine](/api/spectrum/CJNmDx35sbp/structure.png?h=300&w=458 "3-Benzyl-6-methyl-4-prop-2-in-1-yl-2,6-dioxo-4,5,6,7-tetrahydro-1,2,3-triazolo[4,5-D]pyrimidine")
| SpectraBase Compound ID | BSdtrfkHbx6 |
|---|---|
| InChI | InChI=1S/C15H13N5O2/c1-3-9-19-13-12(14(21)18(2)15(19)22)16-17-20(13)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 |
| InChIKey | JSQPEMHDJOYNOO-UHFFFAOYSA-N |
| Mol Weight | 295.3 g/mol |
| Molecular Formula | C15H13N5O2 |
| Exact Mass | 295.106925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJNmDx35sbp |
|---|---|
| Name | 3-Benzyl-6-methyl-4-prop-2-in-1-yl-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 | 295.106924677 u |
| Formula | C15H13N5O2 |
| InChI | InChI=1S/C15H13N5O2/c1-3-9-19-13-12(14(21)18(2)15(19)22)16-17-20(13)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 |
| InChIKey | JSQPEMHDJOYNOO-UHFFFAOYSA-N |
| SMILES | CN1C(=O)N(C2=C(C1=O)N=NN2CC1=CC=CC=C1)CC#C |