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2,4(1H,3H)-pyrimidinedione, 1-[2-[4-bromo-2-[(3,5-dimethylphenyl)methyl]phenoxy]ethyl]-
SpectraBase Compound ID IuAER7iPcA4
InChI InChI=1S/C21H21BrN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)
InChIKey HTAAJWLCOHOZHF-UHFFFAOYSA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ry59PUqFh4
Name 2,4(1H,3H)-pyrimidinedione, 1-[2-[4-bromo-2-[(3,5-dimethylphenyl)methyl]phenoxy]ethyl]-
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/C21H21BrN2O3/c1-14-9-15(2)11-16(10-14)12-17-13-18(22)3-4-19(17)27-8-7-24-6-5-20(25)23-21(24)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,23,25,26)
InChIKey HTAAJWLCOHOZHF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5431
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/17317434; Labnumber: TIM-0000012