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Dimethyl (1'R*,2'R*,2''S*,3'R*)-[2'-(3''-bromo-2''-hydroxypropyl)-3'-methoxymethyloxy-2'-methylcyclohexyl]malonate
SpectraBase Compound ID 12AMiKGkfBQ
InChI InChI=1S/C17H29BrO7/c1-17(8-11(19)9-18)12(6-5-7-13(17)25-10-22-2)14(15(20)23-3)16(21)24-4/h11-14,19H,5-10H2,1-4H3/t11-,12+,13+,17+/m0/s1
InChIKey JGFBVXDNKXUTQY-SFDCBXKLSA-N
Mol Weight 425.32 g/mol
Molecular Formula C17H29BrO7
Exact Mass 424.109666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KQnGWFNsGE
Name DIMETHYL-(1'R*,2'R*,2''S*,3'R*)-[2'-(3''-BrOMO-2''-HYDROXYPROPYL)-3'-METHOXYMETHYLOXY-2'-METHYLCYClOHEXYL]-MALONATE
Compound Number 24A
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Formula C17H29BrO7
InChI InChI=1S/C17H29BrO7/c1-17(8-11(19)9-18)12(6-5-7-13(17)25-10-22-2)14(15(20)23-3)16(21)24-4/h11-14,19H,5-10H2,1-4H3/t11-,12+,13+,17+/m0/s1
InChIKey JGFBVXDNKXUTQY-SFDCBXKLSA-N
Literature Reference Author J.K.MACLEOD,K.B.MORRIS
Literature Reference Citation AUSTR.J.CHEM.,48,609(1995)
Literature Reference DOI 10.1071/CH9950609
Molecular Weight 425.317 g/mol
Solvent CDCl3
Source File Reference UWRK2665