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acetamide, N-(4-chloro-2-methylphenyl)-2-[[1,6-dihydro-4-[[(4-methylphenyl)thio]methyl]-6-oxo-2-pyrimidinyl]thio]-
SpectraBase Compound ID 1mWlZvzvFPd
InChI InChI=1S/C21H20ClN3O2S2/c1-13-3-6-17(7-4-13)28-11-16-10-19(26)25-21(23-16)29-12-20(27)24-18-8-5-15(22)9-14(18)2/h3-10H,11-12H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKey QLHSUQLXGUBIDT-UHFFFAOYSA-N
Mol Weight 445.98 g/mol
Molecular Formula C21H20ClN3O2S2
Exact Mass 445.068547 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3pOs52fYqXR
Name acetamide, N-(4-chloro-2-methylphenyl)-2-[[1,6-dihydro-4-[[(4-methylphenyl)thio]methyl]-6-oxo-2-pyrimidinyl]thio]-
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/C21H20ClN3O2S2/c1-13-3-6-17(7-4-13)28-11-16-10-19(26)25-21(23-16)29-12-20(27)24-18-8-5-15(22)9-14(18)2/h3-10H,11-12H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKey QLHSUQLXGUBIDT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1075
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/11228857