| SpectraBase Spectrum ID |
8O8RArTzoGI |
| Name |
3H-Pyrazolo[3,4-D]pyrimidin-3-one, 2,3A-dihydro-4,6-dimethyl-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.101111021 u |
| Formula |
C13H12N4O |
| InChI |
InChI=1S/C13H12N4O/c1-8-11-12(15-9(2)14-8)16-17(13(11)18)10-6-4-3-5-7-10/h3-7,11H,1-2H3 |
| InChIKey |
FBBYHFIPHGQPJD-UHFFFAOYSA-N |
| Molecular Weight |
240.266 g/mol |
| SMILES |
CC=1N=C(C)C2C(=O)N(N=C2N1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855071 |
![3H-Pyrazolo[3,4-d]pyrimidin-3-one, 2,3a-dihydro-4,6-dimethyl-2-phenyl-](/api/spectrum/8O8RArTzoGI/structure.png?h=300&w=458 "3H-Pyrazolo[3,4-d]pyrimidin-3-one, 2,3a-dihydro-4,6-dimethyl-2-phenyl-")
