| SpectraBase Spectrum ID |
Ln0wEy9HBQe |
| Name |
(2S,7R)-3-[(Z)-Benzylidene]-2-ethyl-1-methyl-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 |
345.184112372 u |
| Formula |
C22H23N3O |
| InChI |
InChI=1S/C22H23N3O/c1-3-19-20(14-16-10-6-4-7-11-16)25-21(26)15-18(23-22(25)24(19)2)17-12-8-5-9-13-17/h4-14,18-19H,3,15H2,1-2H3/b20-14-/t18-,19+/m1/s1 |
| InChIKey |
XBBFFHLGNLCMOO-NQBVVMCBSA-N |
| Molecular Weight |
345.446 g/mol |
| SMILES |
C12=N[C@](CC(N2\C(=C/C2=CC=CC=C2)[C@@](N1C)(CC)[H])=O)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945985 |
![(2S,7R)-3-[(Z)-Benzylidene]-2-ethyl-1-methyl-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one](/api/spectrum/Ln0wEy9HBQe/structure.png?h=300&w=458 "(2S,7R)-3-[(Z)-Benzylidene]-2-ethyl-1-methyl-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one")
