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1,4-bis[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-1,4-diazepane

View entire compound with spectra: 1 MS (GC)

1,4-bis[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-1,4-diazepane
SpectraBase Compound ID BGFdmPpIMmz
InChI InChI=1S/C27H26N4O4/c1-18-22(24(28-34-18)20-10-5-3-6-11-20)26(32)30-14-9-15-31(17-16-30)27(33)23-19(2)35-29-25(23)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3
InChIKey SUWUGKHKSNTVMT-UHFFFAOYSA-N
Mol Weight 470.53 g/mol
Molecular Formula C27H26N4O4
Exact Mass 470.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AN0erDhy6zv
Name 1,4-bis[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-1,4-diazepane
Alternate Name(s) (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-1,4-diazepan-1-yl]methanone (5-methyl-3-phenyl-4-isoxazolyl)-[4-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-1,4-diazepan-1-yl]methanone [4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone [4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-1,4-diazepan-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone
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Formula C27H26N4O4
InChI InChI=1S/C27H26N4O4/c1-18-22(24(28-34-18)20-10-5-3-6-11-20)26(32)30-14-9-15-31(17-16-30)27(33)23-19(2)35-29-25(23)21-12-7-4-8-13-21/h3-8,10-13H,9,14-17H2,1-2H3
InChIKey SUWUGKHKSNTVMT-UHFFFAOYSA-N
Molecular Weight 470.529 g/mol
SMILES c1(C(N2CCN(C(c3c(noc3C)-c3ccccc3)=O)CCC2)=O)c(noc1C)-c1ccccc1
SPLASH splash10-0006-8910000000-250b83a7e16f8e755b3f
Wiley ID 1445478