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#18;DIMETHYL-11,16-DICHLOROUNDECACYCLO-[9.9.0.0-(2,9).0-(3,7).0-(4,20).0-(5,18).0-(6,16).0-(8,15).0-(10,14).0-(12,19).0-(13,17)]-ICOSANE-1,6-DICARBOXYLATE
SpectraBase Compound ID 3SLw83bAoAO
InChI InChI=1S/C24H22Cl2O4/c1-29-19(27)21-11-3-4-12(21)6-8-14(4)22(20(28)30-2)13(3)7-5(11)15-9-10(16(6)23(15,21)25)18(8)24(22,26)17(7)9/h3-18H,1-2H3/t3-,4+,5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15+,16-,17-,18+,21-,22+,23-,24+
InChIKey YYEJQSXMUMDEFK-YJTYKOLZSA-N
Mol Weight 445.34 g/mol
Molecular Formula C24H22Cl2O4
Exact Mass 444.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lnpo2E8lriw
Name #18;DIMETHYL-11,16-DICHLOROUNDECACYCLO-[9.9.0.0-(2,9).0-(3,7).0-(4,20).0-(5,18).0-(6,16).0-(8,15).0-(10,14).0-(12,19).0-(13,17)]-ICOSANE-1,6-DICARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22Cl2O4
InChI InChI=1S/C24H22Cl2O4/c1-29-19(27)21-11-3-4-12(21)6-8-14(4)22(20(28)30-2)13(3)7-5(11)15-9-10(16(6)23(15,21)25)18(8)24(22,26)17(7)9/h3-18H,1-2H3/t3-,4+,5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15+,16-,17-,18+,21-,22+,23-,24+
InChIKey YYEJQSXMUMDEFK-YJTYKOLZSA-N
Literature Reference Author P.LANDENBERGER,K.SCHEUMANN,M.KELLER,D.HUNKLER,H.FRITZ,J.WOER TH,L.KNOTHE,H.PRINZB
Literature Reference Citation J.ORG.CHEM.,66,5744(2001)
Literature Reference DOI 10.1021/jo010170+
Molecular Weight 445.342 g/mol
Solvent Unknown
Source File Reference UWVN24050