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4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(2-methylphenyl)-
SpectraBase Compound ID 33YuBcqQhfR
InChI InChI=1S/C14H12N4S/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3
InChIKey IOFODHFIISYXLF-UHFFFAOYSA-N
Mol Weight 268.34 g/mol
Molecular Formula C14H12N4S
Exact Mass 268.078268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GeOrJdY3Z1
Name 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(2-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.078267576 u
Formula C14H12N4S
InChI InChI=1S/C14H12N4S/c1-8-4-2-3-5-9(8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3
InChIKey IOFODHFIISYXLF-UHFFFAOYSA-N
Molecular Weight 268.338 g/mol
SMILES NC=1SC(=C(C(C1C#N)C1=C(C)C=CC=C1)C#N)N