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5-pyrimidinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-, 2-(methylthio)ethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-, 2-(methylthio)ethyl ester
SpectraBase Compound ID Chmdj1diUtF
InChI InChI=1S/C18H23ClN2O5S/c1-5-25-13-9-11(8-12(19)16(13)22)15-14(17(23)26-6-7-27-4)10(2)21(3)18(24)20-15/h8-9,15,22H,5-7H2,1-4H3,(H,20,24)
InChIKey OSTFQKQIPBTVNT-UHFFFAOYSA-N
Mol Weight 414.9 g/mol
Molecular Formula C18H23ClN2O5S
Exact Mass 414.101621 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HadH8aDcSsO
Name 5-pyrimidinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-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/C18H23ClN2O5S/c1-5-25-13-9-11(8-12(19)16(13)22)15-14(17(23)26-6-7-27-4)10(2)21(3)18(24)20-15/h8-9,15,22H,5-7H2,1-4H3,(H,20,24)
InChIKey OSTFQKQIPBTVNT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7913
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/12256598; Labnumber: SAS-tst6013