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5-(4-Methoxybenzyl)-3-(4-chlorophenyl)-N-cyclohexyl-1,6-dihydro-6-oxo-1-propylpyrazine-2-carboxamide
SpectraBase Compound ID Jc6ru6rljxf
InChI InChI=1S/C28H32ClN3O3/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 GHNBLUKYLSICHK-UHFFFAOYSA-N
Mol Weight 494.0 g/mol
Molecular Formula C28H32ClN3O3
Exact Mass 493.21322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNuTWlukcYk
Name 5-(4-Methoxybenzyl)-3-(4-chlorophenyl)-N-cyclohexyl-1,6-dihydro-6-oxo-1-propylpyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32ClN3O3
InChI InChI=1S/C28H32ClN3O3/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 GHNBLUKYLSICHK-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 494.035 g/mol
SMILES N(C1CCCCC1)C(=O)C=1N(C(C(=NC1c1ccc(cc1)Cl)Cc1ccc(cc1)OC)=O)CCC
SPLASH splash10-006x-3802900000-01a8d7b72f298989b5aa
Source of Spectrum JOC-86-10758-6f
Wiley ID 1867900