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(5RS,6S)-5-sec-Butyl-3-[1-(4-methoxylphenyl)amino]ethylidene-1H-pyrrolidine-2,4-dione
SpectraBase Compound ID FmiOe3nAKnc
InChI InChI=1S/C17H22N2O3/c1-5-10(2)15-16(20)14(17(21)19-15)11(3)18-12-6-8-13(22-4)9-7-12/h6-10,15,18H,5H2,1-4H3,(H,19,21)/t10-,15?/m0/s1
InChIKey TWSDLCTZVNOQMF-MYHCZTBNSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPoXtxwsh1b
Name (5RS,6S)-5-sec-Butyl-3-[1-(4-methoxylphenyl)amino]ethylidene-1H-pyrrolidine-2,4-dione
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-5-10(2)15-16(20)14(17(21)19-15)11(3)18-12-6-8-13(22-4)9-7-12/h6-10,15,18H,5H2,1-4H3,(H,19,21)/t10-,15?/m0/s1
InChIKey TWSDLCTZVNOQMF-MYHCZTBNSA-N
Instrument Name GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.203
Molecular Weight 302.374 g/mol
Optical Rotation [a]D25 = +14.80 (c = 0.50, methanol)
SMILES N1C(C(C(=C(C)Nc2ccc(cc2)OC)C1=O)=O)[C@@](C)(CC)[H]
SPLASH splash10-0002-0391000000-4401c545f06bbc8d0f5c
Source of Spectrum ARK-2010-43-5n
Wiley ID 1866781