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5-(4-Methoxybenzyl)-3-(4-chlorophenyl)-N-cyclohexyl-1,6-dihydro-1-methyl-6-oxopyrazine-2-carboxamide
SpectraBase Compound ID 9D9biX0LUlA
InChI InChI=1S/C26H28ClN3O3/c1-30-24(25(31)28-20-6-4-3-5-7-20)23(18-10-12-19(27)13-11-18)29-22(26(30)32)16-17-8-14-21(33-2)15-9-17/h8-15,20H,3-7,16H2,1-2H3,(H,28,31)
InChIKey SCKOQMLQEBYKHA-UHFFFAOYSA-N
Mol Weight 465.98 g/mol
Molecular Formula C26H28ClN3O3
Exact Mass 465.181919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlMHutUUUFf
Name 5-(4-Methoxybenzyl)-3-(4-chlorophenyl)-N-cyclohexyl-1,6-dihydro-1-methyl-6-oxopyrazine-2-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28ClN3O3
InChI InChI=1S/C26H28ClN3O3/c1-30-24(25(31)28-20-6-4-3-5-7-20)23(18-10-12-19(27)13-11-18)29-22(26(30)32)16-17-8-14-21(33-2)15-9-17/h8-15,20H,3-7,16H2,1-2H3,(H,28,31)
InChIKey SCKOQMLQEBYKHA-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00735
Molecular Weight 465.981 g/mol
SMILES N(C1CCCCC1)C(=O)C=1N(C(C(=NC1c1ccc(cc1)Cl)Cc1ccc(cc1)OC)=O)C
SPLASH splash10-01b9-0501900000-e6e54d7596a1cbf9c89e
Source of Spectrum JOC-86-10758-6h
Wiley ID 1867902