| SpectraBase Spectrum ID |
HlWr1WHI9GJ |
| Name |
(2R,7S,Z)-1-(2,4-Dimethoxybenzyl)-2-ethyl-3-pentylidene-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 |
461.267841996 u |
| Formula |
C28H35N3O3 |
| InChI |
InChI=1S/C28H35N3O3/c1-5-7-9-14-25-24(6-2)30(19-21-15-16-22(33-3)17-26(21)34-4)28-29-23(18-27(32)31(25)28)20-12-10-8-11-13-20/h8,10-17,23-24H,5-7,9,18-19H2,1-4H3/b25-14-/t23-,24+/m0/s1 |
| InChIKey |
ZJZNBLHVBVGTBV-QCPWTUCZSA-N |
| Molecular Weight |
461.606 g/mol |
| SMILES |
C12=N[C@@](CC(N2\C(=C/CCCC)[C@](N1CC1=C(C=C(C=C1)OC)OC)(CC)[H])=O)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91005 |
![(2R,7S,Z)-1-(2,4-Dimethoxybenzyl)-2-ethyl-3-pentylidene-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one](/api/spectrum/HlWr1WHI9GJ/structure.png?h=300&w=458 "(2R,7S,Z)-1-(2,4-Dimethoxybenzyl)-2-ethyl-3-pentylidene-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one")
