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3-(4-Bromophenyl)-N-cyclohexyl-5-(4-methoxybenzyl)-6-oxo-1-propyl-1,6-dihydropyrazine-2-carboxamide
SpectraBase Compound ID 1kt9dpQLAbH
InChI InChI=1S/C28H32BrN3O3/c1-3-17-32-26(27(33)30-22-7-5-4-6-8-22)25(20-11-13-21(29)14-12-20)31-24(28(32)34)18-19-9-15-23(35-2)16-10-19/h9-16,22H,3-8,17-18H2,1-2H3,(H,30,33)
InChIKey VAAXASOCIZBSFV-UHFFFAOYSA-N
Mol Weight 538.5 g/mol
Molecular Formula C28H32BrN3O3
Exact Mass 537.162705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJhbz4azD8q
Name 3-(4-Bromophenyl)-N-cyclohexyl-5-(4-methoxybenzyl)-6-oxo-1-propyl-1,6-dihydropyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32BrN3O3
InChI InChI=1S/C28H32BrN3O3/c1-3-17-32-26(27(33)30-22-7-5-4-6-8-22)25(20-11-13-21(29)14-12-20)31-24(28(32)34)18-19-9-15-23(35-2)16-10-19/h9-16,22H,3-8,17-18H2,1-2H3,(H,30,33)
InChIKey VAAXASOCIZBSFV-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 538.486 g/mol
SMILES N(C(C1=C(c2ccc(Br)cc2)N=C(C(N1CCC)=O)Cc1ccc(cc1)OC)=O)C1CCCCC1
SPLASH splash10-00dr-3900140000-91f158fc8377b3d7f12d
Source of Spectrum JOC-86-10758-6i
Wiley ID 1867903