| SpectraBase Spectrum ID |
K7STMUUN9D4 |
| Name |
4-(3,5-di-Tert-butyl-4-hydroxyphenyl)-6-(4-fluorophenyl)pyrimidin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.205656278 u |
| Formula |
C24H27FN2O2 |
| InChI |
InChI=1S/C24H27FN2O2/c1-23(2,3)17-11-15(12-18(21(17)28)24(4,5)6)20-13-19(26-22(29)27-20)14-7-9-16(25)10-8-14/h7-13,28H,1-6H3,(H,26,27,29) |
| InChIKey |
KPMZSROTQKGKSH-UHFFFAOYSA-N |
| Molecular Weight |
394.490 g/mol |
| SMILES |
C1(N=C(C=C(N1)C=1C=CC(=CC1)F)C=1C=C(C(C)(C)C)C(=C(C1)C(C)(C)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939501 |
