3,5-pyridinedicarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-, dimethyl ester

SpectraBase Compound ID	LAalsLhbhEo
InChI	InChI=1S/C26H30ClNO4/c1-31-24(29)20-13-28(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-21(25(30)32-2)23(20)19-5-3-4-6-22(19)27/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3
InChIKey	IXZGRWXANOAOLM-UHFFFAOYSA-N Google Search
Mol Weight	455.98 g/mol
Molecular Formula	C26H30ClNO4
Exact Mass	455.186336 g/mol

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SpectraBase Spectrum ID	JP2RNTtzGb3
Name	3,5-pyridinedicarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-, 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/C26H30ClNO4/c1-31-24(29)20-13-28(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-21(25(30)32-2)23(20)19-5-3-4-6-22(19)27/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3
InChIKey	IXZGRWXANOAOLM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2577
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/11241287; Labnumber: SAS-tstz005