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1-[2-(1-adamantyloxy)ethyl]-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 2GjFWHqDv8H
InChI InChI=1S/C25H31NO5S/c1-29-23(27)20-13-26(14-21(24(28)30-2)22(20)19-3-6-32-15-19)4-5-31-25-10-16-7-17(11-25)9-18(8-16)12-25/h3,6,13-18,22H,4-5,7-12H2,1-2H3
InChIKey QICNBNVEEHYXLU-UHFFFAOYSA-N
Mol Weight 457.59 g/mol
Molecular Formula C25H31NO5S
Exact Mass 457.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5urD26zYt0n
Name 1-[2-(1-adamantyloxy)ethyl]-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-[2-(1-adamantyloxy)ethyl]-4-(3-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
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Formula C25H31NO5S
InChI InChI=1S/C25H31NO5S/c1-29-23(27)20-13-26(14-21(24(28)30-2)22(20)19-3-6-32-15-19)4-5-31-25-10-16-7-17(11-25)9-18(8-16)12-25/h3,6,13-18,22H,4-5,7-12H2,1-2H3
InChIKey QICNBNVEEHYXLU-UHFFFAOYSA-N
Molecular Weight 457.585 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)c1cscc1)C(=O)OC
SPLASH splash10-00di-7619300000-45189972a50fb9003304
Wiley ID 1444740