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(5E)-1-(2-chlorophenyl)-5-{[4-(diethylamino)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 3yq5edXHMr5
InChI InChI=1S/C21H21ClN4O3/c1-3-25(4-2)15-11-9-14(10-12-15)23-13-16-19(27)24-21(29)26(20(16)28)18-8-6-5-7-17(18)22/h5-13,23H,3-4H2,1-2H3,(H,24,27,29)/b16-13+
InChIKey RNLPABKJBBAOIS-DTQAZKPQSA-N
Mol Weight 412.88 g/mol
Molecular Formula C21H21ClN4O3
Exact Mass 412.130218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZNbDAldLD8
Name (5E)-1-(2-chlorophenyl)-5-{[4-(diethylamino)anilino]methylene}-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/C21H21ClN4O3/c1-3-25(4-2)15-11-9-14(10-12-15)23-13-16-19(27)24-21(29)26(20(16)28)18-8-6-5-7-17(18)22/h5-13,23H,3-4H2,1-2H3,(H,24,27,29)/b16-13+
InChIKey RNLPABKJBBAOIS-DTQAZKPQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15155
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: C29837; Labnumber: KKA-9909-11234; SBI_ID: SBI-015158
Synonyms 1-(2-chlorophenyl)-5-{[4-(diethylamino)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C