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1-(1-adamantylmethyl)-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4dfaqAT7qvO
InChI InChI=1S/C24H29NO4S/c1-28-22(26)19-11-25(12-20(23(27)29-2)21(19)18-3-4-30-13-18)14-24-8-15-5-16(9-24)7-17(6-15)10-24/h3-4,11-13,15-17,21H,5-10,14H2,1-2H3
InChIKey WRAGJBVLQHLACZ-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C24H29NO4S
Exact Mass 427.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mwRPLgqFh1
Name 1-(1-adamantylmethyl)-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-(1-adamantylmethyl)-4-(3-thiophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-(1-adamantylmethyl)-4-(3-thienyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(1-adamantylmethyl)-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
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Formula C24H29NO4S
InChI InChI=1S/C24H29NO4S/c1-28-22(26)19-11-25(12-20(23(27)29-2)21(19)18-3-4-30-13-18)14-24-8-15-5-16(9-24)7-17(6-15)10-24/h3-4,11-13,15-17,21H,5-10,14H2,1-2H3
InChIKey WRAGJBVLQHLACZ-UHFFFAOYSA-N
Molecular Weight 427.559 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC12CC3CC(C2)CC(C1)C3)c1cscc1)C(=O)OC
SPLASH splash10-0006-9417100000-f1f8f787c515fa68e81a
Wiley ID 1444737