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Propanoic acid, 2-methyl-, [[4-[(2-cyano-3-[4-[(methylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenyl]imino]di-2,1-ethanediyl ester
SpectraBase Compound ID A2AgR5fKmI6
InChI InChI=1S/C29H35N3O7S/c1-20(2)28(34)38-16-14-32(15-17-39-29(35)21(3)4)26-12-6-22(7-13-26)18-24(19-30)27(33)23-8-10-25(11-9-23)31-40(5,36)37/h6-13,18,20-21,31H,14-17H2,1-5H3/b24-18-
InChIKey ARGMWQYIBOMEES-MOHJPFBDSA-N
Mol Weight 569.7 g/mol
Molecular Formula C29H35N3O7S
Exact Mass 569.219572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JrBCK9AF5l
Name Propanoic acid, 2-methyl-, [[4-[(2-cyano-3-[4-[(methylsulfonyl)amino]phenyl]-3-oxo-1-propen-1-yl]phenyl]imino]di-2,1-ethanediyl ester
Alternate Name(s) ((4-(2-cyano-3-(4-(methylsulfonamido)phenyl)-3-oxoprop-1-en-1-yl)phenyl)azanediyl)bis(ethane-2,1-diyl) bis(2-methylpropanoate) 2-Methylpropanoic acid 2-[4-[2-cyano-3-[4-(methanesulfonamido)phenyl]-3-oxoprop-1-enyl]-N-[2-(2-methyl-1-oxopropoxy)ethyl]anilino]ethyl ester 2-[4-[2-cyano-3-[4-(methanesulfonamido)phenyl]-3-oxoprop-1-enyl]-N-[2-(2-methylpropanoyloxy)ethyl]anilino]ethyl 2-methylpropanoate 2-[4-[2-cyano-3-[4-(methanesulfonamido)phenyl]-3-oxo-prop-1-enyl]-N-[2-(2-methylpropanoyloxy)ethyl]anilino]ethyl 2-methylpropanoate 2-[[4-[2-cyano-3-[4-(methylsulfonylamino)phenyl]-3-oxidanylidene-prop-1-enyl]phenyl]-[2-(2-methylpropanoyloxy)ethyl]amino]ethyl 2-methylpropanoate
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Formula C29H35N3O7S
InChI InChI=1S/C29H35N3O7S/c1-20(2)28(34)38-16-14-32(15-17-39-29(35)21(3)4)26-12-6-22(7-13-26)18-24(19-30)27(33)23-8-10-25(11-9-23)31-40(5,36)37/h6-13,18,20-21,31H,14-17H2,1-5H3/b24-18-
InChIKey ARGMWQYIBOMEES-MOHJPFBDSA-N
Molecular Weight 569.673 g/mol
SMILES N(c1ccc(C(\C(=C/c2ccc(N(CCOC(C(C)C)=O)CCOC(=O)C(C)C)cc2)C#N)=O)cc1)S(C)(=O)=O
SPLASH splash10-014i-6902210000-4fb09f3ce8777e26986e
Source of Spectrum JX-2015-4-1223
Wiley ID 1726616