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1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID FCiunHSLgPL
InChI InChI=1S/C27H32BrNO4/c1-32-25(30)22-15-29(7-6-27-12-17-8-18(13-27)10-19(9-17)14-27)16-23(26(31)33-2)24(22)20-4-3-5-21(28)11-20/h3-5,11,15-19,24H,6-10,12-14H2,1-2H3
InChIKey WIIQFFOZCQTZCX-UHFFFAOYSA-N
Mol Weight 514.5 g/mol
Molecular Formula C27H32BrNO4
Exact Mass 513.151472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E490bqes2rT
Name 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C27H32BrNO4
InChI InChI=1S/C27H32BrNO4/c1-32-25(30)22-15-29(7-6-27-12-17-8-18(13-27)10-19(9-17)14-27)16-23(26(31)33-2)24(22)20-4-3-5-21(28)11-20/h3-5,11,15-19,24H,6-10,12-14H2,1-2H3
InChIKey WIIQFFOZCQTZCX-UHFFFAOYSA-N
Molecular Weight 514.460 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCC12CC3CC(C2)CC(C1)C3)c1cc(Br)ccc1)C(=O)OC
SPLASH splash10-0a4i-9508000000-03d95cbc7f953282401c
Synonyms Dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-bromophenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1463976