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1-Benzyl-5-(4-bromobenzyl)-N-(tert-butyl)-6-oxo-3-phenyl-1,6-dihydropyrazine-2-carboxamide
SpectraBase Compound ID 80rjBke1zj9
InChI InChI=1S/C29H28BrN3O2/c1-29(2,3)32-27(34)26-25(22-12-8-5-9-13-22)31-24(18-20-14-16-23(30)17-15-20)28(35)33(26)19-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H,32,34)
InChIKey BDOGTUHVMBLHAO-UHFFFAOYSA-N
Mol Weight 530.47 g/mol
Molecular Formula C29H28BrN3O2
Exact Mass 529.13649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mVSVw0KOiC
Name 1-Benzyl-5-(4-bromobenzyl)-N-(tert-butyl)-6-oxo-3-phenyl-1,6-dihydropyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28BrN3O2
InChI InChI=1S/C29H28BrN3O2/c1-29(2,3)32-27(34)26-25(22-12-8-5-9-13-22)31-24(18-20-14-16-23(30)17-15-20)28(35)33(26)19-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H,32,34)
InChIKey BDOGTUHVMBLHAO-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 530.466 g/mol
SMILES N(C(C)(C)C)C(=O)C=1N(C(C(=NC1c1ccccc1)Cc1ccc(cc1)Br)=O)Cc1ccccc1
SPLASH splash10-0006-9002230000-31c0504ea0b44fdc45cc
Source of Spectrum JOC-86-10759-6r
Wiley ID 1867911