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(5RS,6S)-5-sec-Butyl-3-(1-benzylamino)ethylidene-1H-pyrrolidine-2,4-dione
SpectraBase Compound ID 60WCmB44Hof
InChI InChI=1S/C17H22N2O2/c1-4-11(2)15-16(20)14(17(21)19-15)12(3)18-10-13-8-6-5-7-9-13/h5-9,11,15,18H,4,10H2,1-3H3,(H,19,21)/t11-,15?/m0/s1
InChIKey OYVJTNDTGISPJM-VPHXOMNUSA-N
Mol Weight 286.37 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3WduqXxc0U
Name (5RS,6S)-5-sec-Butyl-3-(1-benzylamino)ethylidene-1H-pyrrolidine-2,4-dione
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-4-11(2)15-16(20)14(17(21)19-15)12(3)18-10-13-8-6-5-7-9-13/h5-9,11,15,18H,4,10H2,1-3H3,(H,19,21)/t11-,15?/m0/s1
InChIKey OYVJTNDTGISPJM-VPHXOMNUSA-N
Instrument Name GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.203
Molecular Weight 286.375 g/mol
Optical Rotation [a]D25 = +16.44 (c = 0.50, methanol)
SMILES N1C(C(C(=C(C)NCc2ccccc2)C1=O)=O)[C@@](C)(CC)[H]
SPLASH splash10-001c-5950000000-661f03558bb56c794abf
Source of Spectrum ARK-2010-41-5h
Wiley ID 1866775