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(2S,5S)-5-benzyl-2-(4-bromophenyl)-3-methylimidazolidin-4-one
SpectraBase Compound ID Bx5LVEgaWbn
InChI InChI=1S/C17H17BrN2O/c1-20-16(13-7-9-14(18)10-8-13)19-15(17(20)21)11-12-5-3-2-4-6-12/h2-10,15-16,19H,11H2,1H3/t15-,16-/m0/s1
InChIKey CBZVPNYBIIWGAG-HOTGVXAUSA-N
Mol Weight 345.24 g/mol
Molecular Formula C17H17BrN2O
Exact Mass 344.052426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ef1dr1VOc9v
Name (2S,5S)-5-benzyl-2-(4-bromophenyl)-3-methylimidazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrN2O
InChI InChI=1S/C17H17BrN2O/c1-20-16(13-7-9-14(18)10-8-13)19-15(17(20)21)11-12-5-3-2-4-6-12/h2-10,15-16,19H,11H2,1H3/t15-,16-/m0/s1
InChIKey CBZVPNYBIIWGAG-HOTGVXAUSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.160
Molecular Weight 345.240 g/mol
Optical Rotation [a]20D = -87.9 (c = 0.97, CHCl3)
Reported Formula C17H17BrN2O
SMILES N1[C@@](N(C([C@@]1(Cc1ccccc1)[H])=O)C)(c1ccc(cc1)Br)[H]
SPLASH splash10-0zfr-1190000000-7eed9ff863f9c9835c76
Source of Spectrum BJO-8-SM19-(2S,5S)-15e
Thin-Layer Chromatography Rf = 0.03 (c-Hex/EtOAc, 3:1)
Wiley ID 1864966