1-(4-Ethoxyphenyl)-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester

SpectraBase Compound ID	5KjBvc1BUCU
InChI	InChI=1S/C26H29NO5S/c1-5-30-20-12-10-19(11-13-20)27-16-22(25(28)31-6-2)24(23(17-27)26(29)32-7-3)18-8-14-21(33-4)15-9-18/h8-17,24H,5-7H2,1-4H3
InChIKey	ZKMPXZKXNJZYQT-UHFFFAOYSA-N Google Search
Mol Weight	467.58 g/mol
Molecular Formula	C26H29NO5S
Exact Mass	467.176644 g/mol

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SpectraBase Spectrum ID	B4DYkrr12Js
Name	3,5-pyridinedicarboxylic acid, 1-(4-ethoxyphenyl)-1,4-dihydro-4-[4-(methylthio)phenyl]-, diethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	467.176644207 u
Formula	C26H29NO5S
InChI	InChI=1S/C26H29NO5S/c1-5-30-20-12-10-19(11-13-20)27-16-22(25(28)31-6-2)24(23(17-27)26(29)32-7-3)18-8-14-21(33-4)15-9-18/h8-17,24H,5-7H2,1-4H3
InChIKey	ZKMPXZKXNJZYQT-UHFFFAOYSA-N
Molecular Weight	467.580 g/mol
NMR Offset	16.0087
NMR Spectrometer Frequency	500.133
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_5345
Solvent	DMSO-d6
Source	Vendor ID: NMR/9302628; Lab Info: SAS; Lab Number: SAS-tst3066