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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(5-bromo-2-thienyl)methylene]-1-(3-methoxyphenyl)-, (5E)-
SpectraBase Compound ID 2ltdfwtc9qy
InChI InChI=1S/C16H11BrN2O4S/c1-23-10-4-2-3-9(7-10)19-15(21)12(14(20)18-16(19)22)8-11-5-6-13(17)24-11/h2-8H,1H3,(H,18,20,22)/b12-8+
InChIKey RNPLTGWAPZKTKS-XYOKQWHBSA-N
Mol Weight 407.24 g/mol
Molecular Formula C16H11BrN2O4S
Exact Mass 405.962291 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfHztr4vCwf
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(5-bromo-2-thienyl)methylene]-1-(3-methoxyphenyl)-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.962291012 u
Formula C16H11BrN2O4S
InChI InChI=1S/C16H11BrN2O4S/c1-23-10-4-2-3-9(7-10)19-15(21)12(14(20)18-16(19)22)8-11-5-6-13(17)24-11/h2-8H,1H3,(H,18,20,22)/b12-8+
InChIKey RNPLTGWAPZKTKS-XYOKQWHBSA-N
Molecular Weight 407.238 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6217
Solvent DMSO-d6
Source Vendor ID: NMR/9301148; Lab Info: LP; Lab Number: LP-1701138