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1-benzyl-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID B9V8PI66Cw0
InChI InChI=1S/C25H27NO5/c1-4-30-24(27)21-16-26(15-18-9-7-6-8-10-18)17-22(25(28)31-5-2)23(21)19-11-13-20(29-3)14-12-19/h6-14,16-17,23H,4-5,15H2,1-3H3
InChIKey ALYXBGCFLJWRGF-UHFFFAOYSA-N
Mol Weight 421.49 g/mol
Molecular Formula C25H27NO5
Exact Mass 421.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhL6SfnDiB2
Name 1-benzyl-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
Alternate Name(s) 4-(4-methoxyphenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester diethyl 1-benzyl-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate diethyl 4-(4-methoxyphenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C25H27NO5
InChI InChI=1S/C25H27NO5/c1-4-30-24(27)21-16-26(15-18-9-7-6-8-10-18)17-22(25(28)31-5-2)23(21)19-11-13-20(29-3)14-12-19/h6-14,16-17,23H,4-5,15H2,1-3H3
InChIKey ALYXBGCFLJWRGF-UHFFFAOYSA-N
Molecular Weight 421.493 g/mol
SMILES C=1(C(C(C(=O)OCC)=CN(C1)Cc1ccccc1)c1ccc(cc1)OC)C(=O)OCC
SPLASH splash10-00do-0009900000-6258f187b9efc8dfec3d
Source of Spectrum U1-1998-1216-1
Wiley ID 751354