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2,6-Diamino-4-(2,5-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile

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2,6-Diamino-4-(2,5-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID pPLhJJsKTg
InChI InChI=1S/C15H14N4O2S/c1-20-8-3-4-12(21-2)9(5-8)13-10(6-16)14(18)22-15(19)11(13)7-17/h3-5,13H,18-19H2,1-2H3
InChIKey KDLXONYGKWHPLB-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C15H14N4O2S
Exact Mass 314.083747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISOCPOhJpks
Name 2,6-Diamino-4-(2,5-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.083746879 u
Formula C15H14N4O2S
InChI InChI=1S/C15H14N4O2S/c1-20-8-3-4-12(21-2)9(5-8)13-10(6-16)14(18)22-15(19)11(13)7-17/h3-5,13H,18-19H2,1-2H3
InChIKey KDLXONYGKWHPLB-UHFFFAOYSA-N
Molecular Weight 314.363 g/mol
SMILES C=1(C(C(C#N)=C(SC1N)N)C1=C(C=CC(OC)=C1)OC)C#N