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2-AMINO-4-(METHYLTHIO)-6-OXO-6H-1,3-OXAZINE-5-CARBONITRILE
SpectraBase Compound ID EH78xHdc9oz
InChI InChI=1S/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9)
InChIKey UOWFOHSDCUOIRV-UHFFFAOYSA-N
Mol Weight 183.19 g/mol
Molecular Formula C6H5N3O2S
Exact Mass 183.010248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ed4tGUuf8CO
Name 2-AMINO-4-(METHYLTHIO)-6-OXO-6H-1,3-OXAZINE-5-CARBONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N3O2S
InChI InChI=1S/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9)
InChIKey UOWFOHSDCUOIRV-UHFFFAOYSA-N
Literature Reference Author H.KRISTINSSON,T.WINKLER,G.RIHS,H.FRITZ
Literature Reference Citation HELV.CHIM.ACTA,68,1155(1985)
Literature Reference DOI 10.1002/hlca.19850680510
Molecular Weight 183.185 g/mol
Solvent DMSO-D6
Source File Reference UWCS5238