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1-[2-(1-adamantyloxy)ethyl]-4-(4-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID ETstfVdZ1NF
InChI InChI=1S/C29H37NO6/c1-4-35-23-7-5-22(6-8-23)26-24(27(31)33-2)17-30(18-25(26)28(32)34-3)9-10-36-29-14-19-11-20(15-29)13-21(12-19)16-29/h5-8,17-21,26H,4,9-16H2,1-3H3
InChIKey YVGPYPORTRNSSM-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C29H37NO6
Exact Mass 495.262088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58P2eG7dXTw
Name 1-[2-(1-adamantyloxy)ethyl]-4-(4-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C29H37NO6
InChI InChI=1S/C29H37NO6/c1-4-35-23-7-5-22(6-8-23)26-24(27(31)33-2)17-30(18-25(26)28(32)34-3)9-10-36-29-14-19-11-20(15-29)13-21(12-19)16-29/h5-8,17-21,26H,4,9-16H2,1-3H3
InChIKey YVGPYPORTRNSSM-UHFFFAOYSA-N
Molecular Weight 495.616 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)c1ccc(cc1)OCC)C(=O)OC
SPLASH splash10-00di-8719100000-96314bafe8fa1d918480
Synonyms 1-[2-(1-adamantyloxy)ethyl]-4-p-phenetyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(4-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1444731