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1-[2-(1-adamantyl)ethyl]-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4fa8YhLxNiK
InChI InChI=1S/C25H31NO4S/c1-29-23(27)19-14-26(15-20(24(28)30-2)22(19)21-4-3-7-31-21)6-5-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-4,7,14-18,22H,5-6,8-13H2,1-2H3
InChIKey XPKVKOBVKVIXCU-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C25H31NO4S
Exact Mass 441.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEYmuT4YFWg
Name 1-[2-(1-adamantyl)ethyl]-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C25H31NO4S
InChI InChI=1S/C25H31NO4S/c1-29-23(27)19-14-26(15-20(24(28)30-2)22(19)21-4-3-7-31-21)6-5-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-4,7,14-18,22H,5-6,8-13H2,1-2H3
InChIKey XPKVKOBVKVIXCU-UHFFFAOYSA-N
Molecular Weight 441.586 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCC12CC3CC(C2)CC(C1)C3)c1sccc1)C(=O)OC
SPLASH splash10-0a5c-9414200000-2a38298fda9c4d6542a6
Synonyms 1-[2-(1-adamantyl)ethyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-[2-(1-adamantyl)ethyl]-4-(2-thienyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-[2-(1-adamantyl)ethyl]-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
Wiley ID 1463975