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(5RS,6S)-5-sec-Butyl-3-[1-(4-chlorophenyl)amino]ethylidene-1H-pyrrolidine-2,4-dione
SpectraBase Compound ID JA0VFiPvhkb
InChI InChI=1S/C16H19ClN2O2/c1-4-9(2)14-15(20)13(16(21)19-14)10(3)18-12-7-5-11(17)6-8-12/h5-9,14,18H,4H2,1-3H3,(H,19,21)/t9-,14?/m0/s1
InChIKey SLLMPCNIBRMGMT-CUVJYRNJSA-N
Mol Weight 306.79 g/mol
Molecular Formula C16H19ClN2O2
Exact Mass 306.113506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hwdx9Ibf37e
Name (5RS,6S)-5-sec-Butyl-3-[1-(4-chlorophenyl)amino]ethylidene-1H-pyrrolidine-2,4-dione
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClN2O2
InChI InChI=1S/C16H19ClN2O2/c1-4-9(2)14-15(20)13(16(21)19-14)10(3)18-12-7-5-11(17)6-8-12/h5-9,14,18H,4H2,1-3H3,(H,19,21)/t9-,14?/m0/s1
InChIKey SLLMPCNIBRMGMT-CUVJYRNJSA-N
Instrument Name GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.203
Molecular Weight 306.793 g/mol
Optical Rotation [a]D25 = +16.28 (c = 0.50, methanol)
SMILES N1C(C(C(=C(C)Nc2ccc(cc2)Cl)C1=O)=O)[C@@](C)(CC)[H]
SPLASH splash10-0udi-1490000000-d820de6a2a26ebaeeb71
Source of Spectrum ARK-2010-43-5r
Wiley ID 1866785