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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37HiN0ucO2b
Name 4-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Alternate Name(s) 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES N1C(=CC(=NC1=O)\C=C\c1c(cc2c(c1)OCO2)Br)C(F)(F)F
SPLASH splash10-0a4i-9847000000-a526786329120faf8567
Wiley ID 1452532