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N-Cyclohexyl 4-(4-chlorobenzyl)-2-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
SpectraBase Compound ID CyKxvgy3O7o
InChI InChI=1S/C26H30ClN3O3/c1-33-22-13-9-19(10-14-22)24-25(26(32)29-21-5-3-2-4-6-21)30(23(31)15-16-28-24)17-18-7-11-20(27)12-8-18/h7-14,21,28H,2-6,15-17H2,1H3,(H,29,32)
InChIKey MWCVSHSMHFFGSC-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 2lAPVkMHXDI
Name N-Cyclohexyl 4-(4-chlorobenzyl)-2-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C26H30ClN3O3
InChI InChI=1S/C26H30ClN3O3/c1-33-22-13-9-19(10-14-22)24-25(26(32)29-21-5-3-2-4-6-21)30(23(31)15-16-28-24)17-18-7-11-20(27)12-8-18/h7-14,21,28H,2-6,15-17H2,1H3,(H,29,32)
InChIKey MWCVSHSMHFFGSC-UHFFFAOYSA-N
Molecular Weight 467.997 g/mol
SMILES N1CCC(N(C(C(NC2CCCCC2)=O)=C1c1ccc(cc1)OC)Cc1ccc(cc1)Cl)=O
SPLASH splash10-00kf-0009700000-f918e8c8f5fd34d982e6
Source of Spectrum F-66-6785-6b
Wiley ID 1684242