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2-[4-[bis(2-chloroethyl)amino]phenyl]indane-1,3-quinone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[4-[bis(2-chloroethyl)amino]phenyl]indane-1,3-quinone
SpectraBase Compound ID 38Da3JudY9t
InChI InChI=1S/C19H17Cl2NO2/c20-9-11-22(12-10-21)14-7-5-13(6-8-14)17-18(23)15-3-1-2-4-16(15)19(17)24/h1-8,17H,9-12H2
InChIKey UTNQEAUJCDXTGB-UHFFFAOYSA-N
Mol Weight 362.26 g/mol
Molecular Formula C19H17Cl2NO2
Exact Mass 361.063634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJCVhmaMU6l
Name 2-[4-[bis(2-chloroethyl)amino]phenyl]indane-1,3-dione
Alternate Name(s) 2-[4-[bis(2-chloroethyl)amino]phenyl]indane-1,3-quinone 2-[4-[bis(2-chloroethyl)amino]phenyl]indene-1,3-dione 2-{4-[bis(2-chloroethyl)amino]phenyl}-1H-indene-1,3(2H)-dione
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Formula C19H17Cl2NO2
InChI InChI=1S/C19H17Cl2NO2/c20-9-11-22(12-10-21)14-7-5-13(6-8-14)17-18(23)15-3-1-2-4-16(15)19(17)24/h1-8,17H,9-12H2
InChIKey UTNQEAUJCDXTGB-UHFFFAOYSA-N
Molecular Weight 362.256 g/mol
SMILES C1(C(C(=O)c2c1cccc2)c1ccc(cc1)N(CCCl)CCCl)=O
SPLASH splash10-03di-2109000000-91cbec25cb406caec81c
Source of Spectrum F9-1992-2613-3
Wiley ID 1566669