| SpectraBase Spectrum ID |
Ln5zV4JxUBF |
| Name |
(2S,5S)-1-Benzoyl-5-(4-tert-butylphenyl)-2-isopropyltetrahydropyrimidin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.230728212 u |
| Formula |
C24H30N2O2 |
| InChI |
InChI=1S/C24H30N2O2/c1-16(2)21-25-22(27)20(17-11-13-19(14-12-17)24(3,4)5)15-26(21)23(28)18-9-7-6-8-10-18/h6-14,16,20-21H,15H2,1-5H3,(H,25,27)/t20-,21+/m1/s1 |
| InChIKey |
AFTXHJYCFDGINA-RTWAWAEBSA-N |
| Molecular Weight |
378.516 g/mol |
| SMILES |
[C@@]1(N(C[C@@](C(N1)=O)(C=1C=CC(C(C)(C)C)=CC1)[H])C(=O)C1=CC=CC=C1)(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804821 |
