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4-tert-Butyl (Z)-6-[(4-Bromophenyl)aminocarbonyl]-1-methyl-2-oxo-8-phenyl-1,2,3,4,5,6-hexahydro-1,4-diazocine-4-carboxylate

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4-tert-Butyl (Z)-6-[(4-Bromophenyl)aminocarbonyl]-1-methyl-2-oxo-8-phenyl-1,2,3,4,5,6-hexahydro-1,4-diazocine-4-carboxylate
SpectraBase Compound ID 5Gavr7L5cZi
InChI InChI=1S/C25H28BrN3O4/c1-25(2,3)33-24(32)29-15-18(23(31)27-20-12-10-19(26)11-13-20)14-21(28(4)22(30)16-29)17-8-6-5-7-9-17/h5-14,18H,15-16H2,1-4H3,(H,27,31)/b21-14-
InChIKey VJGXJVZYUQOHBW-STZFKDTASA-N
Mol Weight 514.42 g/mol
Molecular Formula C25H28BrN3O4
Exact Mass 513.126319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YtLbcIUTGt
Name 4-tert-Butyl (Z)-6-[(4-Bromophenyl)aminocarbonyl]-1-methyl-2-oxo-8-phenyl-1,2,3,4,5,6-hexahydro-1,4-diazocine-4-carboxylate
Alternate Name(s) (5Z)-7-[(4-bromoanilino)-oxomethyl]-4-methyl-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-1-carboxylic acid tert-butyl ester tert-Butyl (5Z)-7-[(4-bromophenyl)carbamoyl]-4-methyl-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-1-carboxylate tert-Butyl (5Z)-7-[(4-bromophenyl)carbamoyl]-4-methyl-3-oxidanylidene-5-phenyl-7,8-dihydro-2H-1,4-diazocine-1-carboxylate
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Formula C25H28BrN3O4
InChI InChI=1S/C25H28BrN3O4/c1-25(2,3)33-24(32)29-15-18(23(31)27-20-12-10-19(26)11-13-20)14-21(28(4)22(30)16-29)17-8-6-5-7-9-17/h5-14,18H,15-16H2,1-4H3,(H,27,31)/b21-14-
InChIKey VJGXJVZYUQOHBW-STZFKDTASA-N
Molecular Weight 514.420 g/mol
SMILES N(c1ccc(cc1)Br)C(=O)C1CN(CC(N(\C(=C/1)c1ccccc1)C)=O)C(=O)OC(C)(C)C
SPLASH splash10-06dl-8971000000-c456376de382ff021ef4
Source of Spectrum U1-2012-1816-20
Wiley ID 1715321