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(E)-2-(4-(4-bromostyryl)phenoxy)-N-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide
SpectraBase Compound ID KKl9W2Yd54Z
InChI InChI=1S/C21H18BrN3O3/c1-25-13-12-19(24-21(25)27)23-20(26)14-28-18-10-6-16(7-11-18)3-2-15-4-8-17(22)9-5-15/h2-13H,14H2,1H3,(H,23,24,26,27)/b3-2+
InChIKey MQFWYKKBWOLSLL-NSCUHMNNSA-N
Mol Weight 440.3 g/mol
Molecular Formula C21H18BrN3O3
Exact Mass 439.053154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp8bcU1t6Sj
Name (E)-2-(4-(4-bromostyryl)phenoxy)-N-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrN3O3
InChI InChI=1S/C21H18BrN3O3/c1-25-13-12-19(24-21(25)27)23-20(26)14-28-18-10-6-16(7-11-18)3-2-15-4-8-17(22)9-5-15/h2-13H,14H2,1H3,(H,23,24,26,27)/b3-2+
InChIKey MQFWYKKBWOLSLL-NSCUHMNNSA-N
Literature Reference DOI 10.1002/rcm.2318
Molecular Weight 440.297 g/mol
SMILES N(C(COc1ccc(\C=C\c2ccc(cc2)Br)cc1)=O)C1=NC(N(C=C1)C)=O
SPLASH splash10-016r-0950000000-9765a038e743c027c91e
Source of Spectrum RCM-20-519-13
Wiley ID 1820475