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(5E)-1-(4-chlorophenyl)-5-{1-[(3-pyridinylmethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID HgUQBppWbDF
InChI InChI=1S/C19H17ClN4O3/c1-2-15(22-11-12-4-3-9-21-10-12)16-17(25)23-19(27)24(18(16)26)14-7-5-13(20)6-8-14/h3-10,22H,2,11H2,1H3,(H,23,25,27)/b16-15+
InChIKey ITEXRTSECOQWKY-FOCLMDBBSA-N
Mol Weight 384.82 g/mol
Molecular Formula C19H17ClN4O3
Exact Mass 384.098918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID La7IboFlYkG
Name (5E)-1-(4-chlorophenyl)-5-{1-[(3-pyridinylmethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C19H17ClN4O3/c1-2-15(22-11-12-4-3-9-21-10-12)16-17(25)23-19(27)24(18(16)26)14-7-5-13(20)6-8-14/h3-10,22H,2,11H2,1H3,(H,23,25,27)/b16-15+
InChIKey ITEXRTSECOQWKY-FOCLMDBBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13911
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: D91038; Labnumber: KKA-0212A-1209; SBI_ID: SBI-013914
Synonyms 1-(4-chlorophenyl)-5-{1-[(3-pyridinylmethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C