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2-[3-(dimethyl-$l^{4}-sulfanylidene)-2,4-diketo-1-methyl-pentyl]isoindoline-1,3-quinone
SpectraBase Compound ID 5qr58YxFxPP
InChI InChI=1S/C16H17NO4S/c1-9(13(19)14(10(2)18)22(3)4)17-15(20)11-7-5-6-8-12(11)16(17)21/h5-9H,1-4H3
InChIKey VLCOUSALKJRPLH-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bd37ldaIvX
Name 2-[3-(dimethyl-$l^{4}-sulfanylidene)-2,4-diketo-1-methyl-pentyl]isoindoline-1,3-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-9(13(19)14(10(2)18)22(3)4)17-15(20)11-7-5-6-8-12(11)16(17)21/h5-9H,1-4H3
InChIKey VLCOUSALKJRPLH-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 319.375 g/mol
Source File Reference MHKO17625