5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-(phenylmethoxy)phenyl]-, 2-(methylthio)ethyl ester

SpectraBase Compound ID	8J31ABYzmH4
InChI	InChI=1S/C22H24N2O4S/c1-15-19(21(25)27-12-13-29-2)20(24-22(26)23-15)17-8-10-18(11-9-17)28-14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H2,23,24,26)
InChIKey	VHASMCJGKPHFGN-UHFFFAOYSA-N Google Search
Mol Weight	412.5 g/mol
Molecular Formula	C22H24N2O4S
Exact Mass	412.145678 g/mol

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SpectraBase Spectrum ID	1haLCWjWKgO
Name	5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[4-(phenylmethoxy)phenyl]-, 2-(methylthio)ethyl 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/C22H24N2O4S/c1-15-19(21(25)27-12-13-29-2)20(24-22(26)23-15)17-8-10-18(11-9-17)28-14-16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H2,23,24,26)
InChIKey	VHASMCJGKPHFGN-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_486
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/11258268