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1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID ByHf18lrOBo
InChI InChI=1S/C28H35NO5/c1-32-22-6-4-5-21(12-22)25-23(26(30)33-2)16-29(17-24(25)27(31)34-3)8-7-28-13-18-9-19(14-28)11-20(10-18)15-28/h4-6,12,16-20,25H,7-11,13-15H2,1-3H3
InChIKey RDAURRDLHOHABT-UHFFFAOYSA-N
Mol Weight 465.6 g/mol
Molecular Formula C28H35NO5
Exact Mass 465.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc6TNYNZHZu
Name 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
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Formula C28H35NO5
InChI InChI=1S/C28H35NO5/c1-32-22-6-4-5-21(12-22)25-23(26(30)33-2)16-29(17-24(25)27(31)34-3)8-7-28-13-18-9-19(14-28)11-20(10-18)15-28/h4-6,12,16-20,25H,7-11,13-15H2,1-3H3
InChIKey RDAURRDLHOHABT-UHFFFAOYSA-N
Molecular Weight 465.590 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCC12CC3CC(C2)CC(C1)C3)c1cc(OC)ccc1)C(=O)OC
SPLASH splash10-0a4i-9405000000-7ba39e002d443b30dcae
Wiley ID 1463979