4-[(E)-2-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

SpectraBase Compound ID	7TMYVU1uqFk
InChI	InChI=1S/C17H12BrF3N2O3/c1-3-6-26-14-9-12(18)10(7-13(14)25-2)4-5-11-8-15(17(19,20)21)23-16(24)22-11/h1,4-5,7-9H,6H2,2H3,(H,22,23,24)/b5-4+
InChIKey	WJTQMGJLANCMNF-SNAWJCMRSA-N Google Search
Mol Weight	429.19 g/mol
Molecular Formula	C17H12BrF3N2O3
Exact Mass	427.99834 g/mol

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SpectraBase Spectrum ID	LmfRKYTcImt
Name	2(1H)-pyrimidinone, 4-[(E)-2-[2-bromo-5-methoxy-4-(2-propynyloxy)phenyl]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	427.998339740 u
Formula	C17H12BrF3N2O3
InChI	InChI=1S/C17H12BrF3N2O3/c1-3-6-26-14-9-12(18)10(7-13(14)25-2)4-5-11-8-15(17(19,20)21)23-16(24)22-11/h1,4-5,7-9H,6H2,2H3,(H,22,23,24)/b5-4+
InChIKey	WJTQMGJLANCMNF-SNAWJCMRSA-N
Molecular Weight	429.193 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15131
Solvent	DMSO-d6
Source	Vendor ID: NMR/10311100; Lab Info: SAD; Lab Number: SAD-002589