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iso-Propyl 2-(2-chloro-4-nitrophenyl)-2-{4-[1-(2-chloro-4-nitrophenyl)-1-hydroxy-2-isopropyloxy-2-oxoethyl]phenyl}-2-phenylacetate

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iso-Propyl 2-(2-chloro-4-nitrophenyl)-2-{4-[1-(2-chloro-4-nitrophenyl)-1-hydroxy-2-isopropyloxy-2-oxoethyl]phenyl}-2-phenylacetate
SpectraBase Compound ID KVU1C4PnDVC
InChI InChI=1S/C34H30Cl2N2O9/c1-20(2)46-31(39)33(22-8-6-5-7-9-22,27-16-14-25(37(42)43)18-29(27)35)23-10-12-24(13-11-23)34(41,32(40)47-21(3)4)28-17-15-26(38(44)45)19-30(28)36/h5-21,41H,1-4H3
InChIKey ZLMALQORJHNHRE-UHFFFAOYSA-N
Mol Weight 681.5 g/mol
Molecular Formula C34H30Cl2N2O9
Exact Mass 680.132836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsB2lhB4zJE
Name iso-Propyl 2-(2-chloro-4-nitrophenyl)-2-{4-[1-(2-chloro-4-nitrophenyl)-1-hydroxy-2-isopropyloxy-2-oxoethyl]phenyl}-2-phenylacetate
Alternate Name(s) iso-Propyl 2-(2-chloro-4-nitrophenyl)-2-{4-[1-(2-chloro-4-nitrophenyl)-2-hydroxy-2-isopropyloxy-2-oxoethyl]phenyl}-2-phenylacetate isopropyl (2-chloro-4-nitrophenyl){4-[1-(2-chloro-4-nitrophenyl)-1-hydroxy-2-isopropoxy-2-oxoethyl]phenyl}phenylacetate
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Formula C34H30Cl2N2O9
InChI InChI=1S/C34H30Cl2N2O9/c1-20(2)46-31(39)33(22-8-6-5-7-9-22,27-16-14-25(37(42)43)18-29(27)35)23-10-12-24(13-11-23)34(41,32(40)47-21(3)4)28-17-15-26(38(44)45)19-30(28)36/h5-21,41H,1-4H3
InChIKey ZLMALQORJHNHRE-UHFFFAOYSA-N
Molecular Weight 681.525 g/mol
SMILES OC(C(OC(C)C)=O)(c1c(cc(N(=O)=O)cc1)Cl)c1ccc(C(C(OC(C)C)=O)(c2c(cc(N(=O)=O)cc2)Cl)c2ccccc2)cc1
SPLASH splash10-0006-2000090000-e2804f7b9705adc279fd
Source of Spectrum KC-61-11961-5
Wiley ID 1631655