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3-(4-Bromophenyl)-N-cyclohexyl-1-ethyl-5-(4-methoxybenzyl)-6-oxo-1,6-dihydropyrazine-2-carboxamide
SpectraBase Compound ID D451ECUniuA
InChI InChI=1S/C27H30BrN3O3/c1-3-31-25(26(32)29-21-7-5-4-6-8-21)24(19-11-13-20(28)14-12-19)30-23(27(31)33)17-18-9-15-22(34-2)16-10-18/h9-16,21H,3-8,17H2,1-2H3,(H,29,32)
InChIKey WRUDAPYNZRYBHE-UHFFFAOYSA-N
Mol Weight 524.46 g/mol
Molecular Formula C27H30BrN3O3
Exact Mass 523.147055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B03zkqEZ9O1
Name 3-(4-Bromophenyl)-N-cyclohexyl-1-ethyl-5-(4-methoxybenzyl)-6-oxo-1,6-dihydropyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30BrN3O3
InChI InChI=1S/C27H30BrN3O3/c1-3-31-25(26(32)29-21-7-5-4-6-8-21)24(19-11-13-20(28)14-12-19)30-23(27(31)33)17-18-9-15-22(34-2)16-10-18/h9-16,21H,3-8,17H2,1-2H3,(H,29,32)
InChIKey WRUDAPYNZRYBHE-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 524.459 g/mol
SMILES N(C(C1=C(c2ccc(Br)cc2)N=C(C(N1CC)=O)Cc1ccc(cc1)OC)=O)C1CCCCC1
SPLASH splash10-00di-0900060000-c68afe8555cb911f5cec
Source of Spectrum JOC-86-10758-6n
Wiley ID 1867907