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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
Mol Weight 429.19 g/mol
Molecular Formula C17H12BrF3N2O3
Exact Mass 427.99834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FWPe1s5tYSV
Name 4-{(E)-2-[2-bromo-5-methoxy-4-(2-propynyloxy)phenyl]ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4959
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: NMR/10311100; Labnumber: SAD-002589; IOH_ID: IOH-004960
Synonyms 4-{2-[2-bromo-5-methoxy-4-(2-propynyloxy)phenyl]ethenyl}-6-(trifluoromethyl)-2(1H)-pyrimidinone