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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mF96Q0nP7k
Name (E)-5-Cyano-4-[(2-ethoxy-1-methylmercaptoethyl-2-oxoethyl)amino]-2-(N.N-dimethylimmonio)ethylidene-6-oxido-1,3-oxazine
Alternate Name(s) (2E)-5-cyano-2-[2-(dimethyliminio)ethylidene]-4-{[1-(ethoxycarbonyl)-3-(methylsulfanyl)propyl]amino}-2H-1,3-oxazin-6-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 366.436 g/mol
SMILES N(C=1C(=C([O-])O\C(N1)=C\C=[N+](C)C)C#N)C(C(=O)OCC)CCSC
SPLASH splash10-0002-9000000000-3ec5d8d84892b4c80902
Source of Spectrum H1-51-2902-7
Wiley ID 817454