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1,4-bis(2-(benzylthio)-6-(thiophen-2-yl)pyrimidin-4-yl)benzene
SpectraBase Compound ID JMA2RqLU8aT
InChI InChI=1S/C36H26N4S4/c1-3-9-25(10-4-1)23-43-35-37-29(21-31(39-35)33-13-7-19-41-33)27-15-17-28(18-16-27)30-22-32(34-14-8-20-42-34)40-36(38-30)44-24-26-11-5-2-6-12-26/h1-22H,23-24H2
InChIKey ZOVBBFPDXMWMEB-UHFFFAOYSA-N
Mol Weight 642.9 g/mol
Molecular Formula C36H26N4S4
Exact Mass 642.104032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cq18XOriDeE
Name 1,4-bis(2-(benzylthio)-6-(thiophen-2-yl)pyrimidin-4-yl)benzene
Appearance Yellow powder
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Formula C36H26N4S4
InChI InChI=1S/C36H26N4S4/c1-3-9-25(10-4-1)23-43-35-37-29(21-31(39-35)33-13-7-19-41-33)27-15-17-28(18-16-27)30-22-32(34-14-8-20-42-34)40-36(38-30)44-24-26-11-5-2-6-12-26/h1-22H,23-24H2
InChIKey ZOVBBFPDXMWMEB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4363
Molecular Weight 642.872 g/mol
SMILES c1c(ccc(c1)-c1nc(nc(c1)-c1sccc1)SCc1ccccc1)-c1cc(nc(n1)SCc1ccccc1)-c1cccs1
SPLASH splash10-03di-0369025000-0101c8b772fdfadf82e8
Source of Spectrum Y-58-SM2-6a
Wiley ID 1880882