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2-{4'-[N.N-bis(Chloroethyl)amino]phenyl}-3-(acetoxy)-1-oxobenzocyclopent-2-ene
SpectraBase Compound ID 6HA3RY8GLq2
InChI InChI=1S/C21H19Cl2NO3/c1-14(25)27-21-18-5-3-2-4-17(18)20(26)19(21)15-6-8-16(9-7-15)24(12-10-22)13-11-23/h2-9H,10-13H2,1H3
InChIKey KGOTVMXPVGABCU-UHFFFAOYSA-N
Mol Weight 404.29 g/mol
Molecular Formula C21H19Cl2NO3
Exact Mass 403.074199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wsYsfk1XHK
Name 2-{4'-[N.N-bis(Chloroethyl)amino]phenyl}-3-(acetoxy)-1-oxobenzocyclopent-2-ene
Alternate Name(s) 2-[4'-bis(2''-Chloroethyl)aminophenyl]-3-acetoxyinden-1-one 2-[4'-bis(2''-Chloroethyl)aminophenyl]-3-acetoxyinden-1-one 2-{4-[bis(2-chloroethyl)amino]phenyl}-1-oxo-1H-inden-3-yl acetate Acetic acid[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-keto-inden-1-yl]ester Acetic acid[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxo-1-indenyl]ester [2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxidanylidene-inden-1-yl]ethanoate [2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxo-inden-1-yl]acetate Acetic acid [2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxo-1-indenyl] ester [2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxoinden-1-yl] acetate [2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxo-inden-1-yl] acetate [2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxidanylidene-inden-1-yl] ethanoate
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Formula C21H19Cl2NO3
InChI InChI=1S/C21H19Cl2NO3/c1-14(25)27-21-18-5-3-2-4-17(18)20(26)19(21)15-6-8-16(9-7-15)24(12-10-22)13-11-23/h2-9H,10-13H2,1H3
InChIKey KGOTVMXPVGABCU-UHFFFAOYSA-N
Molecular Weight 404.293 g/mol
SMILES C1(=C(c2ccccc2C1=O)OC(=O)C)c1ccc(cc1)N(CCCl)CCCl
SPLASH splash10-03dl-5029000000-8de7057b05d4d5830906
Source of Spectrum F9-1992-2613-4
Wiley ID 1566668