| SpectraBase Spectrum ID |
8e60222ifp |
| Name |
1-Benzoyl-2(S)-tert-butyl-3-methyl-5(S)-[1'(S)-hydroxybenzyl-6-methylenedihydropyrimidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.209992767 u |
| Formula |
C24H28N2O3 |
| InChI |
InChI=1S/C24H28N2O3/c1-16-19(20(27)17-12-8-6-9-13-17)22(29)25(5)23(24(2,3)4)26(16)21(28)18-14-10-7-11-15-18/h6-15,19-20,23,27H,1H2,2-5H3/t19-,20?,23-/m0/s1 |
| InChIKey |
DMJJYCYSCINSAI-OKVILHKKSA-N |
| Molecular Weight |
392.499 g/mol |
| SMILES |
[C@@]1(N(C([C@](C(N1C)=O)(C(C=1C=CC=CC1)O)[H])=C)C(=O)C1=CC=CC=C1)(C(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805893 |
