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5-(4-Methoxybenzyl)-N-tert-butyl-3-(4-chlorophenyl)-1-ethyl-1,6-dihydro-6-oxopyrazine-2-carboxamide
SpectraBase Compound ID 7cqYTj33I8h
InChI InChI=1S/C25H28ClN3O3/c1-6-29-22(23(30)28-25(2,3)4)21(17-9-11-18(26)12-10-17)27-20(24(29)31)15-16-7-13-19(32-5)14-8-16/h7-14H,6,15H2,1-5H3,(H,28,30)
InChIKey IDWLANXSXMYLDQ-UHFFFAOYSA-N
Mol Weight 453.97 g/mol
Molecular Formula C25H28ClN3O3
Exact Mass 453.181919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WqOu3hQEGL
Name 5-(4-Methoxybenzyl)-N-tert-butyl-3-(4-chlorophenyl)-1-ethyl-1,6-dihydro-6-oxopyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28ClN3O3
InChI InChI=1S/C25H28ClN3O3/c1-6-29-22(23(30)28-25(2,3)4)21(17-9-11-18(26)12-10-17)27-20(24(29)31)15-16-7-13-19(32-5)14-8-16/h7-14H,6,15H2,1-5H3,(H,28,30)
InChIKey IDWLANXSXMYLDQ-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 453.970 g/mol
SMILES N(C(C)(C)C)C(=O)C=1N(C(C(=NC1c1ccc(cc1)Cl)Cc1ccc(cc1)OC)=O)CC
SPLASH splash10-0udi-2400900000-a1adf4f9ea9b5f763d2b
Source of Spectrum JOC-86-10758-6e
Wiley ID 1867899