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1-(1-adamantyl)-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID zp23jFrdIb
InChI InChI=1S/C25H28FNO4/c1-30-23(28)20-13-27(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(29)31-2)22(20)18-3-5-19(26)6-4-18/h3-6,13-17,22H,7-12H2,1-2H3/t15-,16+,17-,25-
InChIKey WFXRHPFZAVJRCQ-CIRRPZLZSA-N
Mol Weight 425.5 g/mol
Molecular Formula C25H28FNO4
Exact Mass 425.200237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBOkezSDahR
Name 1-(1-adamantyl)-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C25H28FNO4
InChI InChI=1S/C25H28FNO4/c1-30-23(28)20-13-27(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(29)31-2)22(20)18-3-5-19(26)6-4-18/h3-6,13-17,22H,7-12H2,1-2H3/t15-,16+,17-,25-
InChIKey WFXRHPFZAVJRCQ-CIRRPZLZSA-N
Molecular Weight 425.500 g/mol
SMILES C1(=CN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])C=C(C1c1ccc(cc1)F)C(=O)OC)C(=O)OC
SPLASH splash10-0019-7914000000-79dd1f4232bfd77839d0
Synonyms Dimethyl 1-(1-adamantyl)-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1462879