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4-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID 6T4qhdBS52X
InChI InChI=1S/C14H8BrF3N2O3/c15-9-5-11-10(22-6-23-11)3-7(9)1-2-8-4-12(14(16,17)18)20-13(21)19-8/h1-5H,6H2,(H,19,20,21)/b2-1+
InChIKey VZRFWJSHEPJDCF-OWOJBTEDSA-N
Mol Weight 389.13 g/mol
Molecular Formula C14H8BrF3N2O3
Exact Mass 387.96704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LeITUPQFBAU
Name 2(1H)-pyrimidinone, 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.967039612 u
Formula C14H8BrF3N2O3
InChI InChI=1S/C14H8BrF3N2O3/c15-9-5-11-10(22-6-23-11)3-7(9)1-2-8-4-12(14(16,17)18)20-13(21)19-8/h1-5H,6H2,(H,19,20,21)/b2-1+
InChIKey VZRFWJSHEPJDCF-OWOJBTEDSA-N
Molecular Weight 389.128 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5674
Solvent DMSO-d6
Source Vendor ID: NMR/9245119; Lab Info: SAD; Lab Number: SAD-0000321