| SpectraBase Spectrum ID |
1J37WukJX58 |
| Name |
(2R,7S)-3-[(Z)-Benzylidene]-1-(2,4-dimethoxybenzyl)-2-ethyl-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.236541867 u |
| Formula |
C30H31N3O3 |
| InChI |
InChI=1S/C30H31N3O3/c1-4-26-27(17-21-11-7-5-8-12-21)33-29(34)19-25(22-13-9-6-10-14-22)31-30(33)32(26)20-23-15-16-24(35-2)18-28(23)36-3/h5-18,25-26H,4,19-20H2,1-3H3/b27-17-/t25-,26+/m0/s1 |
| InChIKey |
NCIONXMEKHTVDT-AIVDYIQFSA-N |
| Molecular Weight |
481.596 g/mol |
| SMILES |
C12=N[C@@](CC(N2\C(=C/C2=CC=CC=C2)[C@](N1CC1=C(C=C(C=C1)OC)OC)(CC)[H])=O)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881666 |
![(2R,7S)-3-[(Z)-Benzylidene]-1-(2,4-dimethoxybenzyl)-2-ethyl-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one](/api/spectrum/1J37WukJX58/structure.png?h=300&w=458 "(2R,7S)-3-[(Z)-Benzylidene]-1-(2,4-dimethoxybenzyl)-2-ethyl-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one")
