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E-5-CHLORO-3-HEPTEN-4-YL-2',4'-DINITROPHENYL-SULPHIDE
SpectraBase Compound ID FsqnipzPWg4
InChI InChI=1S/C13H15ClN2O4S/c1-3-5-12(10(14)4-2)21-13-7-6-9(15(17)18)8-11(13)16(19)20/h5-8,10H,3-4H2,1-2H3/b12-5+
InChIKey MNNBVSGAFYSWNT-LFYBBSHMSA-N
Mol Weight 330.79 g/mol
Molecular Formula C13H15ClN2O4S
Exact Mass 330.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcdkTUeSShn
Name E-5-CHLORO-3-HEPTEN-4-YL-2',4'-DINITROPHENYL-SULPHIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15ClN2O4S
InChI InChI=1S/C13H15ClN2O4S/c1-3-5-12(10(14)4-2)21-13-7-6-9(15(17)18)8-11(13)16(19)20/h5-8,10H,3-4H2,1-2H3/b12-5+
InChIKey MNNBVSGAFYSWNT-LFYBBSHMSA-N
Literature Reference Author D.G.GARRATT,P.BEAULIEU
Literature Reference Citation CAN.J.CHEM.,57,119(1979)
Literature Reference DOI 10.1139/v79-019
Molecular Weight 330.786 g/mol
Solvent Unknown
Source File Reference UWED4382