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N-tert-Butyl-5-benzyl-1-butyl-3-(4-chlorophenyl)-1,6-dihydro-6-oxopyrazine-2-carboxamide
SpectraBase Compound ID CMv8tgpq86p
InChI InChI=1S/C26H30ClN3O2/c1-5-6-16-30-23(24(31)29-26(2,3)4)22(19-12-14-20(27)15-13-19)28-21(25(30)32)17-18-10-8-7-9-11-18/h7-15H,5-6,16-17H2,1-4H3,(H,29,31)
InChIKey SSKZJERSTUKTHH-UHFFFAOYSA-N
Mol Weight 452.0 g/mol
Molecular Formula C26H30ClN3O2
Exact Mass 451.202655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6M5qUwAmtAV
Name N-tert-Butyl-5-benzyl-1-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 C26H30ClN3O2
InChI InChI=1S/C26H30ClN3O2/c1-5-6-16-30-23(24(31)29-26(2,3)4)22(19-12-14-20(27)15-13-19)28-21(25(30)32)17-18-10-8-7-9-11-18/h7-15H,5-6,16-17H2,1-4H3,(H,29,31)
InChIKey SSKZJERSTUKTHH-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 451.998 g/mol
SMILES N(C(C)(C)C)C(=O)C=1N(C(C(=NC1c1ccc(cc1)Cl)Cc1ccccc1)=O)CCCC
SPLASH splash10-0udi-6019300000-404833940b7d3e655d8c
Source of Spectrum JOC-86-10757-6b
Wiley ID 1867896