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2-{4'-[N.N-bis(Chloroethyl)amino]phenyl}-2-(hydroxymethyl)-1,3-dioxobenzocyclopent-2-ene
SpectraBase Compound ID F9jXqwxVZlu
InChI InChI=1S/C20H19Cl2NO3/c21-9-11-23(12-10-22)15-7-5-14(6-8-15)20(13-24)18(25)16-3-1-2-4-17(16)19(20)26/h1-8,24H,9-13H2
InChIKey MKVOFWLNNLQAQY-UHFFFAOYSA-N
Mol Weight 392.28 g/mol
Molecular Formula C20H19Cl2NO3
Exact Mass 391.074199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNnvMFPj3mh
Name 2-{4'-[N.N-bis(Chloroethyl)amino]phenyl}-2-(hydroxymethyl)-1,3-dioxobenzocyclopent-2-ene
Alternate Name(s) 2-{4'-[N.N-bis(Chloroethyl)amino]phenyl}-2-(hydroxymethyl)-indane-1,3-dione 2-{[4'-bis(2''-Chloroethyl)aminophenyl]-2-(hydroxymethyl)indane-1,3-dione 2-{[4'-bis(2''-Chloroethyl)aminophenyl]-2-(hydroxymethyl)indane-1,3-dione 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(hydroxymethyl)indane-1,3-dione 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-(hydroxymethyl)indene-1,3-dione
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Formula C20H19Cl2NO3
InChI InChI=1S/C20H19Cl2NO3/c21-9-11-23(12-10-22)15-7-5-14(6-8-15)20(13-24)18(25)16-3-1-2-4-17(16)19(20)26/h1-8,24H,9-13H2
InChIKey MKVOFWLNNLQAQY-UHFFFAOYSA-N
Molecular Weight 392.282 g/mol
SMILES OCC1(C(c2ccccc2C1=O)=O)c1ccc(cc1)N(CCCl)CCCl
SPLASH splash10-0h00-9003000000-c1fdb3bdeafc17a600cc
Source of Spectrum QF-41-2065-7
Wiley ID 832855