butanedioic acid, 1-[5-methyl-2-(1-methylethyl)cyclohexyl] 4-[2-(4-nitrophenyl)-2-oxoethyl] ester

SpectraBase Compound ID	7kUwz5Hxrae
InChI	InChI=1S/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3
InChIKey	XWUWJQFHHRAQMX-UHFFFAOYSA-N Google Search
Mol Weight	419.47 g/mol
Molecular Formula	C22H29NO7
Exact Mass	419.194402 g/mol

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SpectraBase Spectrum ID	C9iGFwXqsHk
Name	butanedioic acid, 1-[5-methyl-2-(1-methylethyl)cyclohexyl] 4-[2-(4-nitrophenyl)-2-oxoethyl] 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/C22H29NO7/c1-14(2)18-9-4-15(3)12-20(18)30-22(26)11-10-21(25)29-13-19(24)16-5-7-17(8-6-16)23(27)28/h5-8,14-15,18,20H,4,9-13H2,1-3H3
InChIKey	XWUWJQFHHRAQMX-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_793
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/11258809