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5-(4-Methoxybenzyl)-N-tert-butyl-3-(4-chlorophenyl)-1,6-dihydro-6-oxo-1-propylpyrazine-2-carboxamide
SpectraBase Compound ID 8VNLEouVEtw
InChI InChI=1S/C26H30ClN3O3/c1-6-15-30-23(24(31)29-26(2,3)4)22(18-9-11-19(27)12-10-18)28-21(25(30)32)16-17-7-13-20(33-5)14-8-17/h7-14H,6,15-16H2,1-5H3,(H,29,31)
InChIKey CUWBTYYCMATCRN-UHFFFAOYSA-N
Mol Weight 468.0 g/mol
Molecular Formula C26H30ClN3O3
Exact Mass 467.19757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDNaYlF5KiG
Name 5-(4-Methoxybenzyl)-N-tert-butyl-3-(4-chlorophenyl)-1,6-dihydro-6-oxo-1-propylpyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30ClN3O3
InChI InChI=1S/C26H30ClN3O3/c1-6-15-30-23(24(31)29-26(2,3)4)22(18-9-11-19(27)12-10-18)28-21(25(30)32)16-17-7-13-20(33-5)14-8-17/h7-14H,6,15-16H2,1-5H3,(H,29,31)
InChIKey CUWBTYYCMATCRN-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 467.997 g/mol
SMILES N(C(C)(C)C)C(=O)C=1N(C(C(=NC1c1ccc(cc1)Cl)Cc1ccc(cc1)OC)=O)CCC
SPLASH splash10-01b9-2803900000-59541f9e82bb6151a496
Source of Spectrum JOC-86-10757-6d
Wiley ID 1867898