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2,2'-[1,2-ethanediylbis(thio)]bis[6-[2-(6-bromo-2-pyridinyl)-1,3-dioxolan-2-yl]pyridine
SpectraBase Compound ID GuJ7c73QNCl
InChI InChI=1S/C28H24Br2N4O4S2/c29-23-9-1-5-19(31-23)27(35-13-14-36-27)21-7-3-11-25(33-21)39-17-18-40-26-12-4-8-22(34-26)28(37-15-16-38-28)20-6-2-10-24(30)32-20/h1-12H,13-18H2
InChIKey UGCUVPQMQPLRDI-UHFFFAOYSA-N
Mol Weight 704.45 g/mol
Molecular Formula C28H24Br2N4O4S2
Exact Mass 701.960574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gj7i02ZP6gt
Name 2,2'-[1,2-ethanediylbis(thio)]bis[6-[2-(6-bromo-2-pyridinyl)-1,3-dioxolan-2-yl]pyridine
CAS Registry Number 90867-71-3
Comments Less than 3 mono-isotopic peaks
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Formula C28H24Br2N4O4S2
InChI InChI=1S/C28H24Br2N4O4S2/c29-23-9-1-5-19(31-23)27(35-13-14-36-27)21-7-3-11-25(33-21)39-17-18-40-26-12-4-8-22(34-26)28(37-15-16-38-28)20-6-2-10-24(30)32-20/h1-12H,13-18H2
InChIKey UGCUVPQMQPLRDI-UHFFFAOYSA-N
Molecular Weight 704.452 g/mol
SMILES C1(c2nc(SCCSc3nc(C4(c5nc(Br)ccc5)OCCO4)ccc3)ccc2)(c2nc(Br)ccc2)OCCO1
SPLASH splash10-003r-0090000000-5c00ac5b7c476d2a9116
Source of Spectrum J-49-2971-0
Synonyms 2-[2-(6-bromo-2-pyridinyl)-1,3-dioxolan-2-yl]-6-{[2-({6-[2-(6-bromo-2-pyridinyl)-1,3-dioxolan-2-yl]-2-pyridinyl}sulfanyl)ethyl]sulfanyl}pyridine
Wiley ID 1415083