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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1jErhDti26
Name 2,6-bis(azanyl)-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Alternate Name(s) 2,6-Diamino-4-(4-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 299.308 g/mol
SMILES NC1=C(C(C(=C(S1)N)C#N)c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-016r-9510000000-c67d2a84421e596afd97
Source of Spectrum H1-52-337-2
Wiley ID 817590