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(5RS,6S)-5-sec-Butyl-3-(1-iso-propylamino)ethylidene-1H-pyrrolidine-2,4-dione
SpectraBase Compound ID l81MspTHQG
InChI InChI=1S/C13H22N2O2/c1-6-8(4)11-12(16)10(13(17)15-11)9(5)14-7(2)3/h7-8,11,14H,6H2,1-5H3,(H,15,17)/t8-,11?/m0/s1
InChIKey CNRPXOHHWAAXLC-YMNIQAILSA-N
Mol Weight 238.33 g/mol
Molecular Formula C13H22N2O2
Exact Mass 238.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cDFx6iicz2
Name (5RS,6S)-5-sec-Butyl-3-(1-iso-propylamino)ethylidene-1H-pyrrolidine-2,4-dione
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22N2O2
InChI InChI=1S/C13H22N2O2/c1-6-8(4)11-12(16)10(13(17)15-11)9(5)14-7(2)3/h7-8,11,14H,6H2,1-5H3,(H,15,17)/t8-,11?/m0/s1
InChIKey CNRPXOHHWAAXLC-YMNIQAILSA-N
Instrument Name GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.203
Molecular Weight 238.331 g/mol
Optical Rotation [a]D25 = +172.21 (c = 0.50, methanol)
SMILES N1C(C(C(=C(C)NC(C)C)C1=O)=O)[C@@](C)(CC)[H]
SPLASH splash10-001i-2900000000-c8e22fbf6ed0a8d6cc79
Source of Spectrum ARK-2010-40-5d
Wiley ID 1866771