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METHYL-(E)-N-(3-PHENYL-3-OXO-PROPENYL)-N-METHYL-DITHIOCARBAMATE
SpectraBase Compound ID C3VZcXGbkJ2
InChI InChI=1S/C12H13NOS2/c1-13(12(15)16-2)9-8-11(14)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKey LUSDLBLZCPAMLA-CMDGGOBGSA-N
Mol Weight 251.36 g/mol
Molecular Formula C12H13NOS2
Exact Mass 251.043856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CaqYDOi1PUq
Name METHYL-(E)-N-(3-PHENYL-3-OXO-PROPENYL)-N-METHYL-DITHIOCARBAMATE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NOS2
InChI InChI=1S/C12H13NOS2/c1-13(12(15)16-2)9-8-11(14)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKey LUSDLBLZCPAMLA-CMDGGOBGSA-N
Literature Reference Author E.KLEINPETER,S.THOMAS,G.UHLIG,W.D.RUDORF
Literature Reference Citation MAGN.RES.CHEM.,31,714(1993)
Literature Reference DOI 10.1002/mrc.1260310805
Molecular Weight 251.361 g/mol
Solvent CDCl3:TMS
Source File Reference UWRK1198