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1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 5kEoEPGfVHz
InChI InChI=1S/C26H30FNO4/c1-31-24(29)21-13-28(15-26-10-16-6-17(11-26)8-18(7-16)12-26)14-22(25(30)32-2)23(21)19-4-3-5-20(27)9-19/h3-5,9,13-14,16-18,23H,6-8,10-12,15H2,1-2H3
InChIKey ADSGHFOESBLZOI-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C26H30FNO4
Exact Mass 439.215887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QA7uccxTU
Name 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30FNO4
InChI InChI=1S/C26H30FNO4/c1-31-24(29)21-13-28(15-26-10-16-6-17(11-26)8-18(7-16)12-26)14-22(25(30)32-2)23(21)19-4-3-5-20(27)9-19/h3-5,9,13-14,16-18,23H,6-8,10-12,15H2,1-2H3
InChIKey ADSGHFOESBLZOI-UHFFFAOYSA-N
Molecular Weight 439.527 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC12CC3CC(C2)CC(C1)C3)c1cc(F)ccc1)C(=O)OC
SPLASH splash10-0007-9604000000-f4f81252788daa56ea44
Synonyms Dimethyl 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1443571