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1-[2-(1-adamantyloxy)ethyl]-4-(5-methyl-2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID BoiDpytGkAk
InChI InChI=1S/C26H33NO5S/c1-16-4-5-22(33-16)23-20(24(28)30-2)14-27(15-21(23)25(29)31-3)6-7-32-26-11-17-8-18(12-26)10-19(9-17)13-26/h4-5,14-15,17-19,23H,6-13H2,1-3H3
InChIKey PWCCZSLYMYXLHY-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C26H33NO5S
Exact Mass 471.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzOY0IGsnHE
Name 1-[2-(1-adamantyloxy)ethyl]-4-(5-methyl-2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-[2-(1-adamantyloxy)ethyl]-4-(5-methyl-2-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(5-methyl-2-thienyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
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Formula C26H33NO5S
InChI InChI=1S/C26H33NO5S/c1-16-4-5-22(33-16)23-20(24(28)30-2)14-27(15-21(23)25(29)31-3)6-7-32-26-11-17-8-18(12-26)10-19(9-17)13-26/h4-5,14-15,17-19,23H,6-13H2,1-3H3
InChIKey PWCCZSLYMYXLHY-UHFFFAOYSA-N
Molecular Weight 471.612 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)c1sc(C)cc1)C(=O)OC
SPLASH splash10-00dr-9714500000-b2fcbb2ae150c236d945
Wiley ID 1444735