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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13HHVzwywa
Name Dimethyl (1'R*,2'R*,2''S*,3'R*)-[2'-(3''-bromo-2''-hydroxypropyl)-3'-methoxymethyloxy-2'-methylcyclohexyl]malonate
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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
Molecular Weight 425.316 g/mol
SMILES O[C@@](C[C@@]1([C@@](C(C(=O)OC)C(=O)OC)(CCC[C@]1(OCOC)[H])[H])C)(CBr)[H]
SPLASH splash10-053r-7950000000-be3271074e7a0871992a
Source of Spectrum B-48-609-0
Synonyms Dimethyl (1'R*,2'R*,2''S*,3'R*)-[2'-(3''-bromo-2''-hydroxypropyl)-3'-methoxymethyloxy-2'-methylcyclohexyl]malonate Dimethyl (1R*,2R*,2S*,3R*)-[2-(3-bromo-2-hydroxypropyl)-3-methoxymethyloxy-2-methylcyclohexyl]malonate Dimethyl 2-[(1R,2R,3R)-2-[(2S)-3-bromo-2-hydroxypropyl]-3-(methoxymethoxy)-2-methylcyclohexyl]malonate 2-[(1R,2R,3R)-2-[(2S)-3-bromo-2-hydroxypropyl]-3-(methoxymethoxy)-2-methylcyclohexyl]propanedioic acid dimethyl ester Dimethyl 2-[(1R,2R,3R)-2-[(2S)-3-bromo-2-hydroxypropyl]-3-(methoxymethoxy)-2-methylcyclohexyl]propanedioate Dimethyl 2-[(1R,2R,3R)-2-[(2S)-3-bromo-2-hydroxy-propyl]-3-(methoxymethoxy)-2-methyl-cyclohexyl]propanedioate Dimethyl 2-[(1R,2R,3R)-2-[(2S)-3-bromanyl-2-oxidanyl-propyl]-3-(methoxymethoxy)-2-methyl-cyclohexyl]propanedioate
Wiley ID 1379091