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2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(3-bromophenyl)-5-[[3-chloro-4-(2-propynyloxy)phenyl]methylene]-, (5E)-
SpectraBase Compound ID 3zsSNUtEFTH
InChI InChI=1S/C20H12BrClN2O4/c1-2-8-28-17-7-6-12(10-16(17)22)9-15-18(25)23-20(27)24(19(15)26)14-5-3-4-13(21)11-14/h1,3-7,9-11H,8H2,(H,23,25,27)/b15-9+
InChIKey PNJMORGGRKCEAT-OQLLNIDSSA-N
Mol Weight 459.68 g/mol
Molecular Formula C20H12BrClN2O4
Exact Mass 457.966898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVfdGH11LeV
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(3-bromophenyl)-5-[[3-chloro-4-(2-propynyloxy)phenyl]methylene]-, (5E)-
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/C20H12BrClN2O4/c1-2-8-28-17-7-6-12(10-16(17)22)9-15-18(25)23-20(27)24(19(15)26)14-5-3-4-13(21)11-14/h1,3-7,9-11H,8H2,(H,23,25,27)/b15-9+
InChIKey PNJMORGGRKCEAT-OQLLNIDSSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6924
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/12228304