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(E)-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-4-[[2-ETHOXY-1-(PARA-HYDROXYPHENYL)-2-OXOETHYL]-AMINO]-6-OXIDO-1,3-OXAZINE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-4-[[2-ETHOXY-1-(PARA-HYDROXYPHENYL)-2-OXOETHYL]-AMINO]-6-OXIDO-1,3-OXAZINE
SpectraBase Compound ID 94j5OlsPfeV
InChI InChI=1S/C20H22N4O5/c1-4-28-20(27)16(11-13-5-7-14(25)8-6-13)22-18-15(12-21)19(26)29-17(23-18)9-10-24(2)3/h5-10,16H,4,11H2,1-3H3,(H2,22,25,26)
InChIKey VIPPSYZNCUTREY-UHFFFAOYSA-N
Mol Weight 398.42 g/mol
Molecular Formula C20H22N4O5
Exact Mass 398.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Z1JHtzOP7h
Name (E)-5-Cyano-4-{[2-ethoxy-1-(p-hydroxyphenylmethyl)-2-oxoethyl]amino}-2-(N.N-dimethylimmonio)ethylidene-6-oxido-1,3-oxazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O5
InChI InChI=1S/C20H22N4O5/c1-4-28-20(27)16(11-13-5-7-14(25)8-6-13)22-18-15(12-21)19(26)29-17(23-18)9-10-24(2)3/h5-10,16H,4,11H2,1-3H3,(H2,22,25,26)
InChIKey VIPPSYZNCUTREY-UHFFFAOYSA-N
Molecular Weight 398.419 g/mol
SMILES N(C=1C(=C([O-])O\C(N1)=C\C=[N+](C)C)C#N)C(Cc1ccc(cc1)O)C(=O)OCC
SPLASH splash10-0002-9000000000-329ef8c7b99b920435c5
Source of Spectrum H1-51-2902-7
Synonyms (2E)-5-cyano-2-[2-(dimethyliminio)ethylidene]-4-{[2-ethoxy-1-(4-hydroxybenzyl)-2-oxoethyl]amino}-2H-1,3-oxazin-6-olate (E)-5-Cyano-4-{[2-ethoxy-1-(p-hydroxyphenyl)-2-oxoethyl]amino}-2-(N.N-dimethylimmonio)ethylidene-6-oxido-1,3-oxazine
Wiley ID 817453