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N-(3,4-dimethylphenyl)-2-{4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}acetamide
SpectraBase Compound ID DexIGNIrT6b
InChI InChI=1S/C22H21N3O5S/c1-12-4-6-15(8-13(12)2)23-19(26)11-30-17-7-5-14(10-18(17)29-3)9-16-20(27)24-22(31)25-21(16)28/h4-10H,11H2,1-3H3,(H,23,26)(H2,24,25,27,28,31)
InChIKey QMSBQPFICWSDCK-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C22H21N3O5S
Exact Mass 439.120192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DzAgXf7BVKj
Name N-(3,4-dimethylphenyl)-2-{4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}acetamide
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/C22H21N3O5S/c1-12-4-6-15(8-13(12)2)23-19(26)11-30-17-7-5-14(10-18(17)29-3)9-16-20(27)24-22(31)25-21(16)28/h4-10H,11H2,1-3H3,(H,23,26)(H2,24,25,27,28,31)
InChIKey QMSBQPFICWSDCK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7693
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: 9686351; UBI_ID: UBI-007696
Temperature 308 °C