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N-(4-{[(E)-(1-cyclopropyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}phenyl)acetamide
SpectraBase Compound ID LxKd1jy96hp
InChI InChI=1S/C16H16N4O3S/c1-9(21)18-11-4-2-10(3-5-11)17-8-13-14(22)19-16(24)20(15(13)23)12-6-7-12/h2-5,8,12,17H,6-7H2,1H3,(H,18,21)(H,19,22,24)/b13-8+
InChIKey KTHQSEQYFSUPJY-MDWZMJQESA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOgUHrVt9Zl
Name N-(4-{[(E)-(1-cyclopropyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}phenyl)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/C16H16N4O3S/c1-9(21)18-11-4-2-10(3-5-11)17-8-13-14(22)19-16(24)20(15(13)23)12-6-7-12/h2-5,8,12,17H,6-7H2,1H3,(H,18,21)(H,19,22,24)/b13-8+
InChIKey KTHQSEQYFSUPJY-MDWZMJQESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17651
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: D28870; Labnumber: KKA-0211-3909; SBI_ID: SBI-017654
Synonyms N-(4-{[(1-cyclopropyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}phenyl)acetamide
Temperature 318 °C