| SpectraBase Spectrum ID |
ExVamyOBexs |
| Name |
6-Isobutyl-2-phenylpyrimidin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.126263142 u |
| Formula |
C14H16N2O |
| InChI |
InChI=1S/C14H16N2O/c1-10(2)8-12-9-13(17)16-14(15-12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17) |
| InChIKey |
FDUCFXTXYBWYAW-UHFFFAOYSA-N |
| Molecular Weight |
228.295 g/mol |
| SMILES |
C1(=NC(CC(C)C)=CC(N1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870782 |
