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5-(4-Methoxybenzyl)-1-benzyl-N-butyl-3-(4-chlorophenyl)-1,6-dihydro-6-oxopyrazine-2-carboxamide
SpectraBase Compound ID 2XOFZZePNFG
InChI InChI=1S/C30H30ClN3O3/c1-3-4-18-32-29(35)28-27(23-12-14-24(31)15-13-23)33-26(19-21-10-16-25(37-2)17-11-21)30(36)34(28)20-22-8-6-5-7-9-22/h5-17H,3-4,18-20H2,1-2H3,(H,32,35)
InChIKey PGVRRIGGAYQDRX-UHFFFAOYSA-N
Mol Weight 516.04 g/mol
Molecular Formula C30H30ClN3O3
Exact Mass 515.19757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CWRop6MA41
Name 5-(4-Methoxybenzyl)-1-benzyl-N-butyl-3-(4-chlorophenyl)-1,6-dihydro-6-oxopyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30ClN3O3
InChI InChI=1S/C30H30ClN3O3/c1-3-4-18-32-29(35)28-27(23-12-14-24(31)15-13-23)33-26(19-21-10-16-25(37-2)17-11-21)30(36)34(28)20-22-8-6-5-7-9-22/h5-17H,3-4,18-20H2,1-2H3,(H,32,35)
InChIKey PGVRRIGGAYQDRX-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 516.041 g/mol
SMILES N(C(C1=C(N=C(Cc2ccc(OC)cc2)C(N1Cc1ccccc1)=O)c1ccc(cc1)Cl)=O)CCCC
SPLASH splash10-006x-9300400000-f35a4cb534806de5263c
Source of Spectrum JOC-86-10758-6k
Wiley ID 1867905