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5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(3-methylphenyl)-2-oxo-, 2-(methylthio)ethyl ester
SpectraBase Compound ID DREYhQw9sCT
InChI InChI=1S/C16H20N2O3S/c1-10-5-4-6-12(9-10)14-13(11(2)17-16(20)18-14)15(19)21-7-8-22-3/h4-6,9,14H,7-8H2,1-3H3,(H2,17,18,20)
InChIKey NPEFVCHDGOMWPC-UHFFFAOYSA-N
Mol Weight 320.41 g/mol
Molecular Formula C16H20N2O3S
Exact Mass 320.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID QnaBOPApJo
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(3-methylphenyl)-2-oxo-, 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/C16H20N2O3S/c1-10-5-4-6-12(9-10)14-13(11(2)17-16(20)18-14)15(19)21-7-8-22-3/h4-6,9,14H,7-8H2,1-3H3,(H2,17,18,20)
InChIKey NPEFVCHDGOMWPC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6981
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/10322889; Labnumber: SAS-tst4483