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Ethyl 2-adamantyl-1,3-thiazole-4-carboxylate
SpectraBase Compound ID 5YMrNTo1qoa
InChI InChI=1S/C16H21NO2S/c1-2-19-14(18)13-9-20-15(17-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8H2,1H3/t10-,11+,12-,16-
InChIKey OGSDDYSUUFJOHV-BZQOWKENSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9Hn1Gflg8z
Name Ethyl 2-adamantyl-1,3-thiazole-4-carboxylate
Appearance Yellow oil
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Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-2-19-14(18)13-9-20-15(17-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8H2,1H3/t10-,11+,12-,16-
InChIKey OGSDDYSUUFJOHV-BZQOWKENSA-N
Instrument Name Agilent technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.b08
Molecular Weight 291.409 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1scc(n1)C(OCC)=O
SPLASH splash10-0005-3290000000-d924832ba4aa7ed32841
Source of Spectrum ARK-2009-89-4
Thin-Layer Chromatography Rf = 0.73 (n-hexane/ethyl acetate, 7:3)
Wiley ID 1869666