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N-(4-bromophenyl)-2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide
SpectraBase Compound ID 64qnKIXl8Kw
InChI InChI=1S/C13H9BrF3N3O2S/c14-7-1-3-8(4-2-7)18-11(22)6-23-12-19-9(13(15,16)17)5-10(21)20-12/h1-5H,6H2,(H,18,22)(H,19,20,21)
InChIKey BMZQTPIUCITDJP-UHFFFAOYSA-N
Mol Weight 408.19 g/mol
Molecular Formula C13H9BrF3N3O2S
Exact Mass 406.955095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LW82nDhZnf6
Name N-(4-bromophenyl)-2-{[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}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/C13H9BrF3N3O2S/c14-7-1-3-8(4-2-7)18-11(22)6-23-12-19-9(13(15,16)17)5-10(21)20-12/h1-5H,6H2,(H,18,22)(H,19,20,21)
InChIKey BMZQTPIUCITDJP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6512
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: D15607; Labnumber: VGU-09893; SBI_ID: SBI-006515
Temperature 308 °C