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5,5'''-Di(adamantan-1-yl)-2,2':5',2'':5'',2'''-quaterthiophene
SpectraBase Compound ID 90AtPM36SCs
InChI InChI=1S/C36H38S4/c1-3-29(31-5-7-33(39-31)35-15-21-9-22(16-35)11-23(10-21)17-35)37-27(1)28-2-4-30(38-28)32-6-8-34(40-32)36-18-24-12-25(19-36)14-26(13-24)20-36/h1-8,21-26H,9-20H2/t21-,22+,23-,24-,25+,26-,35-,36-
InChIKey IRWFQRXENMDFER-SCMPXAHJSA-N
Mol Weight 598.9 g/mol
Molecular Formula C36H38S4
Exact Mass 598.185636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ai7XuHircIQ
Name 5,5'''-Di(adamantan-1-yl)-2,2':5',2'':5'',2'''-quaterthiophene
Alternate Name(s) 5,5'''-di((3r,5r,7r)-adamantan-1-yl)-2,2':5',2'':5'',2'''-quaterthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38S4
InChI InChI=1S/C36H38S4/c1-3-29(31-5-7-33(39-31)35-15-21-9-22(16-35)11-23(10-21)17-35)37-27(1)28-2-4-30(38-28)32-6-8-34(40-32)36-18-24-12-25(19-36)14-26(13-24)20-36/h1-8,21-26H,9-20H2/t21-,22+,23-,24-,25+,26-,35-,36-
InChIKey IRWFQRXENMDFER-SCMPXAHJSA-N
Molecular Weight 598.940 g/mol
SMILES C1[C@]2(CC3(C[C@](C2)(C[C@]1(C3)[H])[H])c1sc(cc1)-c1sc(cc1)-c1sc(cc1)-c1sc(C23C[C@]4(C[C@](C[C@](C4)(C3)[H])(C2)[H])[H])cc1)[H]
SPLASH splash10-0002-0000092000-f62c7c03067e90d3d8a6
Source of Spectrum AJO-4-767-4a
Wiley ID 1785159