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(2S,5S)-5-benzyl-3-methyl-2-(2-nitrophenyl)imidazolidin-4-one
SpectraBase Compound ID 8rnZCxJbirT
InChI InChI=1S/C17H17N3O3/c1-19-16(13-9-5-6-10-15(13)20(22)23)18-14(17(19)21)11-12-7-3-2-4-8-12/h2-10,14,16,18H,11H2,1H3/t14-,16-/m0/s1
InChIKey YKFBSVORASABGW-HOCLYGCPSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDdXLnLtpxg
Name (2S,5S)-5-benzyl-3-methyl-2-(2-nitrophenyl)imidazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c1-19-16(13-9-5-6-10-15(13)20(22)23)18-14(17(19)21)11-12-7-3-2-4-8-12/h2-10,14,16,18H,11H2,1H3/t14-,16-/m0/s1
InChIKey YKFBSVORASABGW-HOCLYGCPSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.160
Optical Rotation [a]20D = -165 (c = 1.04, CHCl3)
Reported Formula C17H17N3O3
SMILES N1[C@](C(N([C@]1(c1c(cccc1)[N+](=O)[O-])[H])C)=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9220000000-361e8fe2addc0cacd211
Source of Spectrum BJO-8-SM16-(2S,5S)-15b
Thin-Layer Chromatography Rf = 0.25 (c-Hex/EtOAc, 1:1)
Wiley ID 1864964