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(E)-4-(META-CHLOROBENZYL)-AMINO-5-CYANO-2-(N,N-DIMETHYLIMMONIO)-ETHYLIDENE-6-OXIDO-1,3-OXAZINE
SpectraBase Compound ID GPGCOe7vPUz
InChI InChI=1S/C16H15ClN4O2/c1-21(2)7-6-14-20-15(13(9-18)16(22)23-14)19-10-11-4-3-5-12(17)8-11/h3-8H,10H2,1-2H3,(H,19,22)
InChIKey NAMMDXYDNGMXNU-UHFFFAOYSA-N
Mol Weight 330.78 g/mol
Molecular Formula C16H15ClN4O2
Exact Mass 330.088353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2eHkV1A8fu
Name (E)-5-Cyano-4-(m-chlorobenzyl)amino-2-(N.N-dimethylimmonio)ethylidene-6-oxido-1,3-oxazine
Alternate Name(s) (2E)-4-[(3-chlorobenzyl)amino]-5-cyano-2-[2-(dimethyliminio)ethylidene]-2H-1,3-oxazin-6-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN4O2
InChI InChI=1S/C16H15ClN4O2/c1-21(2)7-6-14-20-15(13(9-18)16(22)23-14)19-10-11-4-3-5-12(17)8-11/h3-8H,10H2,1-2H3,(H,19,22)
InChIKey NAMMDXYDNGMXNU-UHFFFAOYSA-N
Molecular Weight 330.775 g/mol
SMILES N(C1=N\C(=C/C=[N+](C)C)OC(=C1C#N)[O-])Cc1cc(Cl)ccc1
SPLASH splash10-001j-8309000000-05ae05580ba62d094d75
Source of Spectrum H1-51-2900-5
Wiley ID 817458