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6-Ethylthio-2,2':6',2'':6'',2'''-quterpyridine

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

6-Ethylthio-2,2':6',2'':6'',2'''-quterpyridine
SpectraBase Compound ID 4IYcKAHVBTo
InChI InChI=1S/C22H18N4S/c1-2-27-22-14-7-13-21(26-22)20-12-6-11-19(25-20)18-10-5-9-17(24-18)16-8-3-4-15-23-16/h3-15H,2H2,1H3
InChIKey ILOAUYSBKDHNAB-UHFFFAOYSA-N
Mol Weight 370.47 g/mol
Molecular Formula C22H18N4S
Exact Mass 370.125218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C85fAouHRKh
Name 6-Ethylthio-2,2':6',2'':6'',2'''-quterpyridine
Comments Computed using HOSE algorithm
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Exact Mass 370.125217770 u
Formula C22H18N4S
InChI InChI=1S/C22H18N4S/c1-2-27-22-14-7-13-21(26-22)20-12-6-11-19(25-20)18-10-5-9-17(24-18)16-8-3-4-15-23-16/h3-15H,2H2,1H3
InChIKey ILOAUYSBKDHNAB-UHFFFAOYSA-N
Molecular Weight 370.474 g/mol
SMILES C1(=NC(=CC=C1)C1=NC(SCC)=CC=C1)C1=NC(C=2N=CC=CC2)=CC=C1