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4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester
SpectraBase Compound ID 2vazuelZwtp
InChI InChI=1S/C20H24N4O3S/c1-4-27-20(26)23-12-10-22(11-13-23)18-17(15(3)25)14(2)24(19(28)21-18)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3
InChIKey PISNNTJHQPYEJO-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C20H24N4O3S
Exact Mass 400.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dxe1yksohb
Name ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-thioxo-1,2-dihydro-4-pyrimidinyl)-1-piperazinecarboxylate
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/C20H24N4O3S/c1-4-27-20(26)23-12-10-22(11-13-23)18-17(15(3)25)14(2)24(19(28)21-18)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3
InChIKey PISNNTJHQPYEJO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15166
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: UZI/6191356; UBI_ID: UBI-015169
Temperature 318 °C