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(2R,5S)-5-Benzyl-2-(4-fluorophenyl)-3-methylimidazolidin-4-one
SpectraBase Compound ID KFTkUPq4tAX
InChI InChI=1S/C17H17FN2O/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 IKCRGJRKBRNZBT-JKSUJKDBSA-N
Mol Weight 284.33 g/mol
Molecular Formula C17H17FN2O
Exact Mass 284.132491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OMydT1tPk
Name (2R,5S)-5-Benzyl-2-(4-fluorophenyl)-3-methylimidazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17FN2O
InChI InChI=1S/C17H17FN2O/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 IKCRGJRKBRNZBT-JKSUJKDBSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.160
Molecular Weight 284.334 g/mol
Optical Rotation [a]20D = -8.98 (c = 1.08, CHCl3)
Reported Formula C17H17FN2O
SMILES N1[C@](C(N([C@@]1(c1ccc(cc1)F)[H])C)=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9600000000-3536f5ce0b78aedf9615
Source of Spectrum BJO-8-SM17-(2R,5S)-15d
Thin-Layer Chromatography Rf = 0.28 (c-Hex/EtOAc, 2:1)
Wiley ID 1864961