1-[2-(1-adamantyl)ethyl]-4-(3,4-dichlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	J4dPJbESTLL
InChI	InChI=1S/C27H31Cl2NO4/c1-33-25(31)20-14-30(6-5-27-11-16-7-17(12-27)9-18(8-16)13-27)15-21(26(32)34-2)24(20)19-3-4-22(28)23(29)10-19/h3-4,10,14-18,24H,5-9,11-13H2,1-2H3/t16-,17+,18-,27+
InChIKey	QJFYKIBBFIFQIA-FRZXUFSDSA-N Google Search
Mol Weight	504.45 g/mol
Molecular Formula	C27H31Cl2NO4
Exact Mass	503.163014 g/mol

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SpectraBase Spectrum ID	7iOVEfIEu2u
Name	3,5-pyridinedicarboxylic acid, 4-(3,4-dichlorophenyl)-1,4-dihydro-1-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-, dimethyl ester
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/C27H31Cl2NO4/c1-33-25(31)20-14-30(6-5-27-11-16-7-17(12-27)9-18(8-16)13-27)15-21(26(32)34-2)24(20)19-3-4-22(28)23(29)10-19/h3-4,10,14-18,24H,5-9,11-13H2,1-2H3/t16-,17+,18-,27+
InChIKey	QJFYKIBBFIFQIA-FRZXUFSDSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2578
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/11241294; Labnumber: SAS-tstz012