dimethyl 1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

SpectraBase Compound ID	68DpvcOsUsM
InChI	InChI=1S/C27H29ClN2O6S/c1-6-7-14-37-20-11-9-19(10-12-20)29-16(2)23(26(31)35-4)25(24(17(29)3)27(32)36-5)18-8-13-21(28)22(15-18)30(33)34/h8-13,15,25H,6-7,14H2,1-5H3
InChIKey	IZSORZHEVBRLKE-UHFFFAOYSA-N Google Search
Mol Weight	545.05 g/mol
Molecular Formula	C27H29ClN2O6S
Exact Mass	544.143486 g/mol

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SpectraBase Spectrum ID	I9qS5HLSxHZ
Name	dimethyl 1-[4-(butylsulfanyl)phenyl]-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C27H29ClN2O6S/c1-6-7-14-37-20-11-9-19(10-12-20)29-16(2)23(26(31)35-4)25(24(17(29)3)27(32)36-5)18-8-13-21(28)22(15-18)30(33)34/h8-13,15,25H,6-7,14H2,1-5H3
InChIKey	IZSORZHEVBRLKE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6178
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11242555; Labnumber: LP-0103513; IOH_ID: IOH-006179