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6-Methyl-4'-(ethylthio)-2,2':6",2"'-quaterpyridine

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

6-Methyl-4'-(ethylthio)-2,2':6",2"'-quaterpyridine
SpectraBase Compound ID 7UJlH4cRdJO
InChI InChI=1S/C23H20N4S/c1-3-28-17-14-22(20-10-6-8-16(2)25-20)27-23(15-17)21-12-7-11-19(26-21)18-9-4-5-13-24-18/h4-15H,3H2,1-2H3
InChIKey LPHFOWPBCPESQS-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C23H20N4S
Exact Mass 384.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsnnWw4iy9J
Name 6-Methyl-4'-(ethylthio)-2,2':6'',2'''-quaterpyridine
Comments Computed using HOSE algorithm
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Exact Mass 384.140867834 u
Formula C23H20N4S
InChI InChI=1S/C23H20N4S/c1-3-28-17-14-22(20-10-6-8-16(2)25-20)27-23(15-17)21-12-7-11-19(26-21)18-9-4-5-13-24-18/h4-15H,3H2,1-2H3
InChIKey LPHFOWPBCPESQS-UHFFFAOYSA-N
Molecular Weight 384.501 g/mol
SMILES C1(=NC(=CC(=C1)SCC)C1=NC(C)=CC=C1)C1=NC(C=2N=CC=CC2)=CC=C1