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5-(Adamantan-1-yl)-2,2'-dithiophene
SpectraBase Compound ID JZdTCEXfu9T
InChI InChI=1S/C18H20S2/c1-2-15(19-5-1)16-3-4-17(20-16)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2/t12-,13+,14-,18-
InChIKey KLBRFMNZBNBKCQ-WXZYKRPKSA-N
Mol Weight 300.48 g/mol
Molecular Formula C18H20S2
Exact Mass 300.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYIhpQn3gic
Name 5-(Adamantan-1-yl)-2,2'-dithiophene
Alternate Name(s) 5-((3r,5r,7r)-adamantan-1-yl)-2,2'-bithiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20S2
InChI InChI=1S/C18H20S2/c1-2-15(19-5-1)16-3-4-17(20-16)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2/t12-,13+,14-,18-
InChIKey KLBRFMNZBNBKCQ-WXZYKRPKSA-N
Literature Reference DOI 10.1002/ajoc.201500150
Molecular Weight 300.478 g/mol
SMILES C1[C@]2(CC3(C[C@](C2)(C[C@]1(C3)[H])[H])c1sc(cc1)-c1sccc1)[H]
SPLASH splash10-0udl-2079000000-7b0522c3a3eca3a9f68f
Source of Spectrum AJO-4-766-2b
Wiley ID 1785154