| SpectraBase Spectrum ID |
DZ5m8rou38r |
| Name |
3-oxy-2-o-Tolyl-2,4-dihydro-[1,2,3]triazolo[4,5-D]pyrimidine-5,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.070539167 u |
| Formula |
C11H9N5O3 |
| InChI |
InChI=1S/C11H9N5O3/c1-6-4-2-3-5-7(6)15-14-8-9(16(15)19)12-11(18)13-10(8)17/h2-5H,1H3,(H2,12,13,17,18) |
| InChIKey |
IZBKTBOAIQMHOJ-UHFFFAOYSA-N |
| Molecular Weight |
259.225 g/mol |
| SMILES |
C12=N(N(N=C2C(NC(N1)=O)=O)C1=C(C)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870712 |
![3-oxy-2-o-Tolyl-2,4-dihydro-[1,2,3]triazolo[4,5-D]pyrimidine-5,7-dione](/api/spectrum/DZ5m8rou38r/structure.png?h=300&w=458 "3-oxy-2-o-Tolyl-2,4-dihydro-[1,2,3]triazolo[4,5-D]pyrimidine-5,7-dione")
