| SpectraBase Spectrum ID |
F9qKepi7le1 |
| Name |
2-Amino-3-p-tolylpyrimidin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.090211985 u |
| Formula |
C11H11N3O |
| InChI |
InChI=1S/C11H11N3O/c1-8-2-4-9(5-3-8)14-10(15)6-7-13-11(14)12/h2-7H,1H3,(H2,12,13) |
| InChIKey |
KUOAJWFDLOKQQH-UHFFFAOYSA-N |
| Molecular Weight |
201.229 g/mol |
| SMILES |
C=1(N(C(C=CN1)=O)C1=CC=C(C=C1)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93753 |
