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3-(adamantan-1-yl)benzofuran
SpectraBase Compound ID 4CDI0cD26W9
InChI InChI=1S/C18H20O/c1-2-4-17-15(3-1)16(11-19-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2/t12-,13+,14-,18-
InChIKey LGYVUOSCYJGAIL-WXZYKRPKSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2U3eING0mjm
Name 3-(adamantan-1-yl)benzofuran
Alternate Name(s) 3-((3r,5r,7r)-adamantan-1-yl)benzofuran
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Formula C18H20O
InChI InChI=1S/C18H20O/c1-2-4-17-15(3-1)16(11-19-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14H,5-10H2/t12-,13+,14-,18-
InChIKey LGYVUOSCYJGAIL-WXZYKRPKSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 252.357 g/mol
SMILES C1[C@]2(C[C@@]3(CC(c4coc5c4cccc5)(C2)C[C@]1(C3)[H])[H])[H]
SPLASH splash10-0udi-0690000000-573453a5cbf77e4a666e
Source of Spectrum A1-16-2418/SMS12-4k
Wiley ID 1749423