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Methanesulfonamide, N-[4-[3-[4-[bis[2-(1-oxopropoxy)ethyl]amino]phenyl]-2-cyano-1-oxo-2-propen-1-yl]phenyl]-
SpectraBase Compound ID CT5PgUeWGxa
InChI InChI=1S/C27H31N3O7S/c1-4-25(31)36-16-14-30(15-17-37-26(32)5-2)24-12-6-20(7-13-24)18-22(19-28)27(33)21-8-10-23(11-9-21)29-38(3,34)35/h6-13,18,29H,4-5,14-17H2,1-3H3/b22-18-
InChIKey OLMSYVCOYAVATR-PYCFMQQDSA-N
Mol Weight 541.62 g/mol
Molecular Formula C27H31N3O7S
Exact Mass 541.188272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbKG9IdGEks
Name Methanesulfonamide, N-[4-[3-[4-[bis[2-(1-oxopropoxy)ethyl]amino]phenyl]-2-cyano-1-oxo-2-propen-1-yl]phenyl]-
Alternate Name(s) (Z)-((4-(2-cyano-3-(4-(methylsulfonamido)phenyl)-3-oxoprop-1-en-1-yl)phenyl)azanediyl)bis(ethane-2,1-diyl) dipropionate Propanoic acid 2-[4-[(Z)-2-cyano-3-[4-(methanesulfonamido)phenyl]-3-oxoprop-1-enyl]-N-[2-(1-oxopropoxy)ethyl]anilino]ethyl ester 2-[4-[(Z)-2-cyano-3-[4-(methanesulfonamido)phenyl]-3-oxoprop-1-enyl]-N-(2-propanoyloxyethyl)anilino]ethyl propanoate 2-[4-[(Z)-2-cyano-3-[4-(methanesulfonamido)phenyl]-3-oxo-prop-1-enyl]-N-(2-propanoyloxyethyl)anilino]ethyl propanoate 2-[[4-[(Z)-2-cyano-3-[4-(methylsulfonylamino)phenyl]-3-oxidanylidene-prop-1-enyl]phenyl]-(2-propanoyloxyethyl)amino]ethyl propanoate
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Formula C27H31N3O7S
InChI InChI=1S/C27H31N3O7S/c1-4-25(31)36-16-14-30(15-17-37-26(32)5-2)24-12-6-20(7-13-24)18-22(19-28)27(33)21-8-10-23(11-9-21)29-38(3,34)35/h6-13,18,29H,4-5,14-17H2,1-3H3/b22-18-
InChIKey OLMSYVCOYAVATR-PYCFMQQDSA-N
Molecular Weight 541.619 g/mol
SMILES N(c1ccc(C(\C(=C/c2ccc(N(CCOC(CC)=O)CCOC(=O)CC)cc2)C#N)=O)cc1)S(C)(=O)=O
SPLASH splash10-0udi-4901100000-bca4ed0ed21321a97674
Source of Spectrum JX-2015-4-1131
Wiley ID 1726527