1-(2-thenyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	GEstQzdkYFn
InChI	InChI=1S/C21H18F3NO4S/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h3-9,11-12,18H,10H2,1-2H3
InChIKey	QZEIOFYKJGHXGF-UHFFFAOYSA-N Google Search
Mol Weight	437.43 g/mol
Molecular Formula	C21H18F3NO4S
Exact Mass	437.090864 g/mol

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SpectraBase Spectrum ID	H8tnMek02f2
Name	3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-(2-thienylmethyl)-4-[4-(trifluoromethyl)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	437.090863723 u
Formula	C21H18F3NO4S
InChI	InChI=1S/C21H18F3NO4S/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h3-9,11-12,18H,10H2,1-2H3
InChIKey	QZEIOFYKJGHXGF-UHFFFAOYSA-N
Molecular Weight	437.433 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_9327
Solvent	DMSO-d6
Source	Vendor ID: NMR/10240453; Lab Info: SAS; Lab Number: SAS-tst3640
Temperature	23.85 °C