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(E)-2-(4-(4-bromostyryl)phenoxy)-N-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)propanamide
SpectraBase Compound ID Lr8hVBgrcSN
InChI InChI=1S/C22H20BrN3O3/c1-15(21(27)24-20-13-14-26(2)22(28)25-20)29-19-11-7-17(8-12-19)4-3-16-5-9-18(23)10-6-16/h3-15H,1-2H3,(H,24,25,27,28)/b4-3+
InChIKey SOEINVHJDAVRRY-ONEGZZNKSA-N
Mol Weight 454.32 g/mol
Molecular Formula C22H20BrN3O3
Exact Mass 453.068805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yAZSkfUTY7
Name (E)-2-(4-(4-Bromostyryl)phenoxy)-N-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.068804513 u
Formula C22H20BrN3O3
InChI InChI=1S/C22H20BrN3O3/c1-15(21(27)24-20-13-14-26(2)22(28)25-20)29-19-11-7-17(8-12-19)4-3-16-5-9-18(23)10-6-16/h3-15H,1-2H3,(H,24,25,27,28)/b4-3+
InChIKey SOEINVHJDAVRRY-ONEGZZNKSA-N
Molecular Weight 454.324 g/mol
SMILES C1=C(C=CC(=C1)\C=C\C1=CC=C(C=C1)OC(C(NC1=NC(N(C=C1)C)=O)=O)C)Br