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5-[{4'-[N.N-bis(Chloroethyl)amino]phenyl}-(hydroxycarbonyl)methylene]benzo[2,3-a]furan-2-one
SpectraBase Compound ID 4ao3RSharC3
InChI InChI=1S/C20H17Cl2NO4/c21-9-11-23(12-10-22)14-7-5-13(6-8-14)17(19(24)25)18-15-3-1-2-4-16(15)20(26)27-18/h1-8H,9-12H2,(H,24,25)/b18-17-
InChIKey BZRBJXSBNZHDFI-ZCXUNETKSA-N
Mol Weight 406.27 g/mol
Molecular Formula C20H17Cl2NO4
Exact Mass 405.053463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID N7NqYaSWYq
Name (Z)-[4-BIS(2-CHLOROETHYL)AMINOPHENYL]PHTHALIDENACETIC ACID
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Formula C20H17Cl2NO4
InChI InChI=1S/C20H17Cl2NO4/c21-9-11-23(12-10-22)14-7-5-13(6-8-14)17(19(24)25)18-15-3-1-2-4-16(15)20(26)27-18/h1-8H,9-12H2,(H,24,25)/b18-17-
InChIKey BZRBJXSBNZHDFI-ZCXUNETKSA-N
Instrument Name Bruker AC-200
Literature Reference L.M.PISARENKO, V.I.NIKULIN, N.N.SVESHNIKOV (1992) Izv.Akad.Nauk SSSR(Russ.Lang.): N11, 2609-2617.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d