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1,4-Dithiabutane, 1,4-bis[2-(9-borabicyclo[3.3.1]non-9-yl)oxycyclohexyl]-
SpectraBase Compound ID LFf5DLjSkxZ
InChI InChI=1S/C30H52B2O2S2/c1-3-19-29(27(17-1)33-31-23-9-5-10-24(31)12-6-11-23)35-21-22-36-30-20-4-2-18-28(30)34-32-25-13-7-14-26(32)16-8-15-25/h23-30H,1-22H2
InChIKey UNEASHCBAJCUQP-UHFFFAOYSA-N
Mol Weight 530.5 g/mol
Molecular Formula C30H52B2O2S2
Exact Mass 530.359484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTakgFh3Q1I
Name 1,4-Dithiabutane, 1,4-bis[2-(9-borabicyclo[3.3.1]non-9-yl)oxycyclohexyl]-
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Formula C30H52B2O2S2
InChI InChI=1S/C30H52B2O2S2/c1-3-19-29(27(17-1)33-31-23-9-5-10-24(31)12-6-11-23)35-21-22-36-30-20-4-2-18-28(30)34-32-25-13-7-14-26(32)16-8-15-25/h23-30H,1-22H2
InChIKey UNEASHCBAJCUQP-UHFFFAOYSA-N
Molecular Weight 530.484 g/mol
SMILES C1CC2B(OC3C(SCCSC4C(CCCC4)OB4C5CCCC4CCC5)CCCC3)C(C1)CCC2
SPLASH splash10-0059-9560000000-8325cc6ecab03163c884
Synonyms 9-((2-[(2-([2-(9-Borabicyclo[3.3.1]non-9-yloxy)cyclohexyl]sulfanyl)ethyl)sulfanyl]cyclohexyl)oxy)-9-borabicyclo[3.3.1]nonane 9-[2-[2-[2-(9-borabicyclo[3.3.1]nonan-9-yloxy)cyclohexyl]sulfanylethylsulfanyl]cyclohexoxy]-9-borabicyclo[3.3.1]nonane 9-[2-[2-[2-(9-borabicyclo[3.3.1]nonan-9-yloxy)cyclohexyl]sulfanylethylsulfanyl]cyclohexyl]oxy-9-borabicyclo[3.3.1]nonane 9-[2-[2-[[2-(9-borabicyclo[3.3.1]nonan-9-yloxy)cyclohexyl]thio]ethylthio]cyclohexoxy]-9-borabicyclo[3.3.1]nonane 9-[2-[2-[[2-(9-borabicyclo[3.3.1]nonan-9-yloxy)cyclohexyl]thio]ethylthio]cyclohexyl]oxy-9-borabicyclo[3.3.1]nonane
Wiley ID 1492308