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3-({2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}amino)propyl acetate
SpectraBase Compound ID 4i8clPzbn14
InChI InChI=1S/C21H21BrN2O4/c1-15(25)28-13-5-12-23-21(27)19(14-16-6-3-2-4-7-16)24-20(26)17-8-10-18(22)11-9-17/h2-4,6-11,14H,5,12-13H2,1H3,(H,23,27)(H,24,26)/b19-14-
InChIKey WJLIZMIHKPMONG-RGEXLXHISA-N
Mol Weight 445.31 g/mol
Molecular Formula C21H21BrN2O4
Exact Mass 444.06847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKsnEcMY9Z8
Name 3-({2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}amino)propyl acetate
Alternate Name(s) 3-({(2Z)-2-[(4-bromobenzoyl)amino]-3-phenyl-2-propenoyl}amino)propyl acetate Acetic acid 3-[2-(4-bromo-benzoylamino)-3-phenyl-acryloylamino]-propyl ester
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Formula C21H21BrN2O4
InChI InChI=1S/C21H21BrN2O4/c1-15(25)28-13-5-12-23-21(27)19(14-16-6-3-2-4-7-16)24-20(26)17-8-10-18(22)11-9-17/h2-4,6-11,14H,5,12-13H2,1H3,(H,23,27)(H,24,26)/b19-14-
InChIKey WJLIZMIHKPMONG-RGEXLXHISA-N
Molecular Weight 445.313 g/mol
SMILES N(C(c1ccc(cc1)Br)=O)\C(C(NCCCOC(=O)C)=O)=C/c1ccccc1
SPLASH splash10-003i-3903000000-8a551f276296bda393d6
Wiley ID 1446222