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Octakis(cyclohexylthio)-naphthalene

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Octakis(cyclohexylthio)-naphthalene
SpectraBase Compound ID Ea00uIQTJmK
InChI InChI=1S/C58H88S8/c1-9-25-41(26-10-1)59-51-49-50(53(61-43-29-13-3-14-30-43)56(64-46-35-19-6-20-36-46)55(51)63-45-33-17-5-18-34-45)54(62-44-31-15-4-16-32-44)58(66-48-39-23-8-24-40-48)57(65-47-37-21-7-22-38-47)52(49)60-42-27-11-2-12-28-42/h41-48H,1-40H2
InChIKey IDNGQEAWBUUGNQ-UHFFFAOYSA-N
Mol Weight 1041.8 g/mol
Molecular Formula C58H88S8
Exact Mass 1040.465172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aZFco9iWYp
Name Octakis(cyclohexylthio)-naphthalene
Comments TWO CYCLOHEXANE RINGS HAVE AN AXIALLY ORIENTED C-SUBSTITUTED BOND, SHOWN AS C11-16 AND C35-C40, SOLID STATE SPECTRUM
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Formula C58H88S8
InChI InChI=1S/C58H88S8/c1-9-25-41(26-10-1)59-51-49-50(53(61-43-29-13-3-14-30-43)56(64-46-35-19-6-20-36-46)55(51)63-45-33-17-5-18-34-45)54(62-44-31-15-4-16-32-44)58(66-48-39-23-8-24-40-48)57(65-47-37-21-7-22-38-47)52(49)60-42-27-11-2-12-28-42/h41-48H,1-40H2
InChIKey IDNGQEAWBUUGNQ-UHFFFAOYSA-N
Literature Reference D.D. Macnicol, W.M. McGregor, J. Chem. Soc. Perkin I 3380 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany