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2,2'-bis[{4'-[N.N-bis(Chloroethyl)amino]phenyl}-1,3-dioxobenzocyclopentyl]

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,2'-bis[{4'-[N.N-bis(Chloroethyl)amino]phenyl}-1,3-dioxobenzocyclopentyl]
SpectraBase Compound ID 29XbqqOo6vL
InChI InChI=1S/C38H32Cl4N2O4/c39-17-21-43(22-18-40)27-13-9-25(10-14-27)37(33(45)29-5-1-2-6-30(29)34(37)46)38(35(47)31-7-3-4-8-32(31)36(38)48)26-11-15-28(16-12-26)44(23-19-41)24-20-42/h1-16H,17-24H2
InChIKey BKUZEPHAGOXCOI-UHFFFAOYSA-N
Mol Weight 722.5 g/mol
Molecular Formula C38H32Cl4N2O4
Exact Mass 720.111618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KTA5EMtXI9
Name 2,2'-bis[{4'-[N.N-bis(Chloroethyl)amino]phenyl}-1,3-dioxobenzocyclopentyl]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H32Cl4N2O4
InChI InChI=1S/C38H32Cl4N2O4/c39-17-21-43(22-18-40)27-13-9-25(10-14-27)37(33(45)29-5-1-2-6-30(29)34(37)46)38(35(47)31-7-3-4-8-32(31)36(38)48)26-11-15-28(16-12-26)44(23-19-41)24-20-42/h1-16H,17-24H2
InChIKey BKUZEPHAGOXCOI-UHFFFAOYSA-N
Molecular Weight 722.496 g/mol
SMILES C1(C2(C(c3ccccc3C2=O)=O)c2ccc(cc2)N(CCCl)CCCl)(C(c2ccccc2C1=O)=O)c1ccc(cc1)N(CCCl)CCCl
SPLASH splash10-03di-3119000000-a9a79148f4a3847dd339
Source of Spectrum F9-1992-2613-9
Synonyms 2,2-bis{[4''-bis(2'''-Chloroethyl)aminophenyl]indane-1,3-dione 2,2-bis{[4''-bis(2'''-Chloroethyl)aminophenyl]indane-1,3-dione
Wiley ID 1566664