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5,5'''''''-Di(adamantan-1-yl)2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-octithiophene
SpectraBase Compound ID A884x1mmCEi
InChI InChI=1S/C52H46S8/c1-3-37(39-5-7-41(55-39)43-9-11-45(57-43)47-13-15-49(59-47)51-23-29-17-30(24-51)19-31(18-29)25-51)53-35(1)36-2-4-38(54-36)40-6-8-42(56-40)44-10-12-46(58-44)48-14-16-50(60-48)52-26-32-20-33(27-52)22-34(21-32)28-52/h1-16,29-34H,17-28H2/t29-,30+,31-,32-,33?,34?,51-,52?
InChIKey GAQOCRJCUDHZEN-JPKAUDGNSA-N
Mol Weight 927.4 g/mol
Molecular Formula C52H46S8
Exact Mass 926.136521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Foqv1tFclQd
Name 5,5'''''''-Di(adamantan-1-yl)2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-octithiophene
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Formula C52H46S8
InChI InChI=1S/C52H46S8/c1-3-37(39-5-7-41(55-39)43-9-11-45(57-43)47-13-15-49(59-47)51-23-29-17-30(24-51)19-31(18-29)25-51)53-35(1)36-2-4-38(54-36)40-6-8-42(56-40)44-10-12-46(58-44)48-14-16-50(60-48)52-26-32-20-33(27-52)22-34(21-32)28-52/h1-16,29-34H,17-28H2/t29-,30+,31-,32-,33?,34?,51-,52?
InChIKey GAQOCRJCUDHZEN-JPKAUDGNSA-N
Literature Reference DOI 10.1002/ajoc.201500150
Molecular Weight 927.420 g/mol
SMILES C1C2(CC3CC1CC(C2)C3)c1sc(cc1)-c1sc(-c2sc(cc2)-c2sc(-c3sc(cc3)-c3sc(cc3)-c3sc(cc3)-c3sc(C45CC6CC(C4)CC(C5)C6)cc3)cc2)cc1
SPLASH splash10-004l-7020100009-63d75bdb890e7bcb1563
Source of Spectrum AJO-4-768-4c
Synonyms 5-((3R,5R)-adamantan-1-yl)-5'''''''-((3r,5r,7r)-adamantan-1-yl)-2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-octithiophene
Wiley ID 1785161