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1-[2-(1-adamantyl)ethyl]-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID E3Smxc2liSs
InChI InChI=1S/C27H32ClNO4/c1-32-25(30)22-15-29(8-7-27-12-17-9-18(13-27)11-19(10-17)14-27)16-23(26(31)33-2)24(22)20-3-5-21(28)6-4-20/h3-6,15-19,24H,7-14H2,1-2H3
InChIKey PPHJJTYBTUBNSN-UHFFFAOYSA-N
Mol Weight 470.0 g/mol
Molecular Formula C27H32ClNO4
Exact Mass 469.201986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqsEEJWiy8l
Name 1-[2-(1-adamantyl)ethyl]-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C27H32ClNO4
InChI InChI=1S/C27H32ClNO4/c1-32-25(30)22-15-29(8-7-27-12-17-9-18(13-27)11-19(10-17)14-27)16-23(26(31)33-2)24(22)20-3-5-21(28)6-4-20/h3-6,15-19,24H,7-14H2,1-2H3
InChIKey PPHJJTYBTUBNSN-UHFFFAOYSA-N
Molecular Weight 470.009 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCC12CC3CC(C2)CC(C1)C3)c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-0a4i-2209100000-01c1e6f2ece38d3a07d6
Synonyms Dimethyl 1-[2-(1-adamantyl)ethyl]-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1463978