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2,6-diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2,6-diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID AuPOoHEjaDu
InChI InChI=1S/C13H9N5O2S/c14-5-9-11(10(6-15)13(17)21-12(9)16)7-1-3-8(4-2-7)18(19)20/h1-4,11H,16-17H2
InChIKey BFNUGJIXTMHBIE-UHFFFAOYSA-N
Mol Weight 299.31 g/mol
Molecular Formula C13H9N5O2S
Exact Mass 299.047696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwjIddaa6gz
Name 2,6-diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9N5O2S
InChI InChI=1S/C13H9N5O2S/c14-5-9-11(10(6-15)13(17)21-12(9)16)7-1-3-8(4-2-7)18(19)20/h1-4,11H,16-17H2
InChIKey BFNUGJIXTMHBIE-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 299.307 g/mol
Source File Reference MHKO7791