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3-(4-Bromophenyl)-N-cyclohexyl-5-(4-methoxybenzylidene)-6-oxo-1-propyl-1,2,5,6-tetrahydropyrazine-2-carboxamide
SpectraBase Compound ID JPniC67OB8T
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/h9-16,18,22,26H,3-8,17H2,1-2H3,(H,30,33)
InChIKey PNMWOSAMFPMESO-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 EgtpLC0eiXu
Name 3-(4-Bromophenyl)-N-cyclohexyl-5-(4-methoxybenzylidene)-6-oxo-1-propyl-1,2,5,6-tetrahydropyrazine-2-carboxamide
Appearance Light yellow 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/h9-16,18,22,26H,3-8,17H2,1-2H3,(H,30,33)
InChIKey PNMWOSAMFPMESO-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(C1C(c2ccc(Br)cc2)=NC(C(N1CCC)=O)=Cc1ccc(cc1)OC)=O)C1CCCCC1
SPLASH splash10-02ta-9200310000-ba8bbc707883b01db01c
Source of Spectrum JOC-86-10759-8i
Wiley ID 1867912