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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsCZZ7uKOkv
Name 3-ACETOXY-2-[4-BIS(2-CHLOROETHYL)AMINOPHENYL]INDEN-1-ONE
Comments H1
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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
Instrument Name Bruker AC-200
Literature Reference L.M.PISARENKO, V.I.NIKULIN, N.N.SVESHNIKOV (1992) Izv.Akad.Nauk SSSR(Russ.Lang.): N11, 2609-2617.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d