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1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 9wzwWlx7Gb3
InChI InChI=1S/C28H35NO5/c1-4-34-24-8-6-5-7-21(24)25-22(26(30)32-2)15-29(16-23(25)27(31)33-3)17-28-12-18-9-19(13-28)11-20(10-18)14-28/h5-8,15-16,18-20,25H,4,9-14,17H2,1-3H3
InChIKey LDBHPMMAYCDORD-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 4XsZFlQNDvM
Name 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-(1-adamantylmethyl)-4-o-phenetyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
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Formula C28H35NO5
InChI InChI=1S/C28H35NO5/c1-4-34-24-8-6-5-7-21(24)25-22(26(30)32-2)15-29(16-23(25)27(31)33-3)17-28-12-18-9-19(13-28)11-20(10-18)14-28/h5-8,15-16,18-20,25H,4,9-14,17H2,1-3H3
InChIKey LDBHPMMAYCDORD-UHFFFAOYSA-N
Molecular Weight 465.590 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC12CC3CC(C2)CC(C1)C3)c1c(OCC)cccc1)C(=O)OC
SPLASH splash10-0f6w-9814600000-62f546f24ad11e8daf26
Wiley ID 1443569