(2S,7S)-3-[(Z)-Benzylidene]-7-(2-bromophenyl)-1-methyl-2-phenyl-2,3,6,7-tetrahydroimidazo[1,2-A]pyrimidin-5(1H)-one

SpectraBase Compound ID	Hsk5Gjzf4WY
InChI	InChI=1S/C26H22BrN3O/c1-29-25(19-12-6-3-7-13-19)23(16-18-10-4-2-5-11-18)30-24(31)17-22(28-26(29)30)20-14-8-9-15-21(20)27/h2-16,22,25H,17H2,1H3/b23-16-/t22-,25-/m0/s1
InChIKey	FDXIVXMCEUOJIP-UVJUWTQOSA-N Google Search
Mol Weight	472.39 g/mol
Molecular Formula	C26H22BrN3O
Exact Mass	471.094625 g/mol

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SpectraBase Spectrum ID	532mIlTifnp
Name	(2S,7S)-3-[(Z)-Benzylidene]-7-(2-bromophenyl)-1-methyl-2-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	471.094625339 u
Formula	C26H22BrN3O
InChI	InChI=1S/C26H22BrN3O/c1-29-25(19-12-6-3-7-13-19)23(16-18-10-4-2-5-11-18)30-24(31)17-22(28-26(29)30)20-14-8-9-15-21(20)27/h2-16,22,25H,17H2,1H3/b23-16-/t22-,25-/m0/s1
InChIKey	FDXIVXMCEUOJIP-UVJUWTQOSA-N
Molecular Weight	472.386 g/mol
SMILES	C12=N[C@@](CC(N2\C(=C/C2=CC=CC=C2)[C@@](N1C)(C1=CC=CC=C1)[H])=O)(C1=C(C=CC=C1)Br)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.921399