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4-tert-Butyl-4'-(ethylthio)-2,2':6",2"'-quaterpyridine
SpectraBase Compound ID 5OgySARNC8f
InChI InChI=1S/C26H26N4S/c1-5-31-19-16-24(22-11-8-10-21(29-22)20-9-6-7-13-27-20)30-25(17-19)23-15-18(12-14-28-23)26(2,3)4/h6-17H,5H2,1-4H3
InChIKey RDFJCSVQRHCWQN-UHFFFAOYSA-N
Mol Weight 426.58 g/mol
Molecular Formula C26H26N4S
Exact Mass 426.187818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZGSXywIL6w
Name 4-tert-Butyl-4'-(ethylthio)-2,2':6",2"'-quaterpyridine
Alternate Name(s) 4-tert-Butyl-4'-(ethylthio)-2,2':6',2'':6'',2'''-quaterpyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N4S
InChI InChI=1S/C26H26N4S/c1-5-31-19-16-24(22-11-8-10-21(29-22)20-9-6-7-13-27-20)30-25(17-19)23-15-18(12-14-28-23)26(2,3)4/h6-17H,5H2,1-4H3
InChIKey RDFJCSVQRHCWQN-UHFFFAOYSA-N
Molecular Weight 426.582 g/mol
SMILES c1(nc(cc(c1)SCC)-c1nc(-c2ncccc2)ccc1)-c1cc(C(C)(C)C)ccn1
SPLASH splash10-004i-0004900000-47efb84c2bb937cd41df
Source of Spectrum C-119-5616-1
Wiley ID 760296