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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElF45fUd16C
Name 5-[{4'-[N.N-bis(Chloroethyl)amino]phenyl}-(hydroxycarbonyl)methylene]benzo[2,3-a]furan-2-one
Alternate Name(s) 5-[{4'-[N,N-bis(Chloroethyl)amino]phenyl}-(hydroxycarbonyl)methylene]-benzo[2,3-a]furan-2-one (2Z)-2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3-oxo-1-isobenzofuranylidene)acetic acid (2Z)-2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid (2Z)-2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3-oxoisobenzofuran-1-ylidene)acetic acid (2Z)-2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethanoic 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
Molecular Weight 406.265 g/mol
SMILES OC(\C(=C\1OC(=O)c2c1cccc2)c1ccc(cc1)N(CCCl)CCCl)=O
SPLASH splash10-0007-9210000000-ae881dbe6baa7f428851
Source of Spectrum QF-41-2065-5
Wiley ID 832857