1-[2-(1-adamantyloxy)ethyl]-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	J5D2fYewNTB
InChI	InChI=1S/C28H35NO6/c1-32-22-6-4-21(5-7-22)25-23(26(30)33-2)16-29(17-24(25)27(31)34-3)8-9-35-28-13-18-10-19(14-28)12-20(11-18)15-28/h4-7,16-20,25H,8-15H2,1-3H3
InChIKey	FNQDCZSETFEIMQ-UHFFFAOYSA-N Google Search
Mol Weight	481.6 g/mol
Molecular Formula	C28H35NO6
Exact Mass	481.246438 g/mol

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SpectraBase Spectrum ID	1kMFCMy7jz7
Name	1-[2-(1-Adamantyloxy)ethyl]-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	481.246437845 u
Formula	C28H35NO6
InChI	InChI=1S/C28H35NO6/c1-32-22-6-4-21(5-7-22)25-23(26(30)33-2)16-29(17-24(25)27(31)34-3)8-9-35-28-13-18-10-19(14-28)12-20(11-18)15-28/h4-7,16-20,25H,8-15H2,1-3H3
InChIKey	FNQDCZSETFEIMQ-UHFFFAOYSA-N
Molecular Weight	481.589 g/mol
SMILES	C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)C1=CC=C(C=C1)OC)C(=O)OC