| SpectraBase Spectrum ID |
FeDFCZjLhY2 |
| Name |
(2S,7R,Z)-2-Ethyl-1-methyl-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 |
325.215412500 u |
| Formula |
C20H27N3O |
| InChI |
InChI=1S/C20H27N3O/c1-4-6-8-13-18-17(5-2)22(3)20-21-16(14-19(24)23(18)20)15-11-9-7-10-12-15/h7,9-13,16-17H,4-6,8,14H2,1-3H3/b18-13-/t16-,17+/m1/s1 |
| InChIKey |
ICDGVYBUWJXZPF-NEMDDSBSSA-N |
| Molecular Weight |
325.456 g/mol |
| SMILES |
C12=N[C@](CC(N2\C(=C/CCCC)[C@@](N1C)(CC)[H])=O)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953877 |
![(2S,7R,Z)-2-Ethyl-1-methyl-3-pentylidene-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one](/api/spectrum/FeDFCZjLhY2/structure.png?h=300&w=458 "(2S,7R,Z)-2-Ethyl-1-methyl-3-pentylidene-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one")
