| SpectraBase Spectrum ID |
HGshKDvx3X5 |
| Name |
6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-D]pyrimidin-7[6H]-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.080041223 u |
| Formula |
C13H11N3O3 |
| InChI |
InChI=1S/C13H11N3O3/c17-11-9-7-16(6-8-4-2-1-3-5-8)12(18)10(9)14-13(19)15-11/h1-5H,6-7H2,(H2,14,15,17,19) |
| InChIKey |
ILMDMEXCJKULNN-UHFFFAOYSA-N |
| Molecular Weight |
257.249 g/mol |
| SMILES |
C1(NC(NC2=C1CN(C2=O)CC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983427 |
![6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-D]pyrimidin-7[6H]-one](/api/spectrum/HGshKDvx3X5/structure.png?h=300&w=458 "6-Benzyl-2,4-dihydroxy-5H-pyrrolo[3,4-D]pyrimidin-7[6H]-one")
