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(+/-)-(1S*,3S*,4R*,5S*,7R*,8R*,9S*,11S*,13R*)-3,4,5,7-TETRACHLOR-11-ISOPROPYL-1,6,6-TRITHOXY-8-METHYL-2,12-DIOXAPENTACYCLO-[6.5.0.0(3,7).0(5,9).0(11,13)];COMP
SpectraBase Compound ID IwRdt2TE2BB
InChI InChI=1S/C18H22Cl4O6/c1-7(2)13-9(23)8-12(3)16(24-4,11(13)27-13)28-15(21)10(19)14(8,20)18(25-5,26-6)17(12,15)22/h7-8,10-11H,1-6H3/t8-,10-,11-,12-,13-,14-,15-,16?,17+/m1/s1
InChIKey SDXJKSBMPVTDJZ-NCRXCCNESA-N
Mol Weight 476.2 g/mol
Molecular Formula C18H22Cl4O6
Exact Mass 474.017049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hKScjoqh7f
Name (+/-)-(1S*,3S*,4R*,5S*,7R*,8R*,9S*,11S*,13R*)-3,4,5,7-TETRACHLOR-11-ISOPROPYL-1,6,6-TRITHOXY-8-METHYL-2,12-DIOXAPENTACYCLO-[6.5.0.0(3,7).0(5,9).0(11,13)];COMP
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Formula C18H22Cl4O6
InChI InChI=1S/C18H22Cl4O6/c1-7(2)13-9(23)8-12(3)16(24-4,11(13)27-13)28-15(21)10(19)14(8,20)18(25-5,26-6)17(12,15)22/h7-8,10-11H,1-6H3/t8-,10-,11-,12-,13-,14-,15-,16?,17+/m1/s1
InChIKey SDXJKSBMPVTDJZ-NCRXCCNESA-N
Literature Reference Author W.D.AICHBERGER,J.AIGNER,E.GOESSINGER,K.GRUBER,G.MENZ
Literature Reference Citation MH.CHEM.,125,991(1994)
Literature Reference DOI 10.1007/BF00812715
Molecular Weight 476.181 g/mol
Solvent CDCl3
Source File Reference UWPR1805