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(E)-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-4-[(2-ETHOXY-1-METHYLMERCAPTOETHYL-2-OXOETHYL)-AMINO]-6-OXIDO-1,3-OXAZINE
SpectraBase Compound ID LodAHU0QmsN
InChI InChI=1S/C16H22N4O4S/c1-5-23-16(22)12(7-9-25-4)18-14-11(10-17)15(21)24-13(19-14)6-8-20(2)3/h6,8,12H,5,7,9H2,1-4H3,(H,18,21)
InChIKey CROPFNDQOSFFGV-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C16H22N4O4S
Exact Mass 366.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dw2kaqJV0W9
Name (E)-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-4-[(2-ETHOXY-1-METHYLMERCAPTOETHYL-2-OXOETHYL)-AMINO]-6-OXIDO-1,3-OXAZINE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22N4O4S
InChI InChI=1S/C16H22N4O4S/c1-5-23-16(22)12(7-9-25-4)18-14-11(10-17)15(21)24-13(19-14)6-8-20(2)3/h6,8,12H,5,7,9H2,1-4H3,(H,18,21)
InChIKey CROPFNDQOSFFGV-UHFFFAOYSA-N
Literature Reference Author Z.WANG,W.KRAMER,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,51,2893(1999)
Literature Reference DOI 10.3987/COM-99-8696
Molecular Weight 366.435 g/mol
Solvent CDCl3