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

SpectraBase Compound ID	7AMdezIyle8
InChI	InChI=1S/C20H16F3NO4S/c1-27-18(25)14-10-24(13-6-3-5-12(9-13)20(21,22)23)11-15(19(26)28-2)17(14)16-7-4-8-29-16/h3-11,17H,1-2H3
InChIKey	FHWPAWRGEVSSAH-UHFFFAOYSA-N Google Search
Mol Weight	423.41 g/mol
Molecular Formula	C20H16F3NO4S
Exact Mass	423.075214 g/mol

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SpectraBase Spectrum ID	E1VHREzoULo
Name	3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-(2-thienyl)-1-[3-(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	423.075213658 u
Formula	C20H16F3NO4S
InChI	InChI=1S/C20H16F3NO4S/c1-27-18(25)14-10-24(13-6-3-5-12(9-13)20(21,22)23)11-15(19(26)28-2)17(14)16-7-4-8-29-16/h3-11,17H,1-2H3
InChIKey	FHWPAWRGEVSSAH-UHFFFAOYSA-N
Molecular Weight	423.406 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_6140
Solvent	DMSO-d6
Source	Vendor ID: NMR/11221200; Lab Info: SAS; Lab Number: SAS-tst4533