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

SpectraBase Compound ID	ETcswrnujI8
InChI	InChI=1S/C24H25NO4S/c1-16-5-7-17(8-6-16)13-25-14-20(23(26)28-2)22(21(15-25)24(27)29-3)18-9-11-19(30-4)12-10-18/h5-12,14-15,22H,13H2,1-4H3
InChIKey	NHYUEMPZPIINQL-UHFFFAOYSA-N Google Search
Mol Weight	423.53 g/mol
Molecular Formula	C24H25NO4S
Exact Mass	423.150429 g/mol

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SpectraBase Spectrum ID	DVkz3o4edT8
Name	3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-[(4-methylphenyl)methyl]-4-[4-(methylthio)phenyl]-, dimethyl 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	423.150429459 u
Formula	C24H25NO4S
InChI	InChI=1S/C24H25NO4S/c1-16-5-7-17(8-6-16)13-25-14-20(23(26)28-2)22(21(15-25)24(27)29-3)18-9-11-19(30-4)12-10-18/h5-12,14-15,22H,13H2,1-4H3
InChIKey	NHYUEMPZPIINQL-UHFFFAOYSA-N
Molecular Weight	423.527 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_9566
Solvent	DMSO-d6
Source	Vendor ID: NMR/10241036; Lab Info: SAS; Lab Number: SAS-tst3617