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Ethyl 5-(adamantan-1-yl)thiophene-2-carboxylate
SpectraBase Compound ID 4YjJgwYPxj7
InChI InChI=1S/C17H22O2S/c1-2-19-16(18)14-3-4-15(20-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-13H,2,5-10H2,1H3/t11-,12+,13-,17-
InChIKey FYWADCHRCFAAHS-FBBPANFNSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBdNG99vJl1
Name Ethyl 5-(adamantan-1-yl)thiophene-2-carboxylate
Alternate Name(s) Ethyl 5-((3r,5r,7r)-adamantan-1-yl)thiophene-2-carboxylate
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Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-2-19-16(18)14-3-4-15(20-14)17-8-11-5-12(9-17)7-13(6-11)10-17/h3-4,11-13H,2,5-10H2,1H3/t11-,12+,13-,17-
InChIKey FYWADCHRCFAAHS-FBBPANFNSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 290.421 g/mol
SMILES C1[C@]2(C[C@@]3(CC(c4sc(cc4)C(=O)OCC)(C2)C[C@]1(C3)[H])[H])[H]
SPLASH splash10-0006-1390000000-3804e8302e6591a9d10a
Source of Spectrum A1-16-2418/SMS13-4n
Wiley ID 1749425