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1-(1-adamantyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID CJrkHeQYc8U
InChI InChI=1S/C26H28F3NO4/c1-33-23(31)20-13-30(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(32)34-2)22(20)18-3-5-19(6-4-18)26(27,28)29/h3-6,13-17,22H,7-12H2,1-2H3/t15-,16+,17-,25-
InChIKey BGOXKYHDLNTRBR-UHFFFAOYSA-N
Mol Weight 475.51 g/mol
Molecular Formula C26H28F3NO4
Exact Mass 475.197043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXLfleB9yBl
Name 1-(1-adamantyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F3NO4
InChI InChI=1S/C26H28F3NO4/c1-33-23(31)20-13-30(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(32)34-2)22(20)18-3-5-19(6-4-18)26(27,28)29/h3-6,13-17,22H,7-12H2,1-2H3/t15-,16+,17-,25-
InChIKey BGOXKYHDLNTRBR-UHFFFAOYSA-N
Molecular Weight 475.508 g/mol
SMILES C1(=CN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])C=C(C1c1ccc(C(F)(F)F)cc1)C(=O)OC)C(=O)OC
SPLASH splash10-0019-6904100000-6535f525be60edb6819d
Synonyms Dimethyl 1-(1-adamantyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
Wiley ID 1462875