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(1R,8R,9R,11R,12R)-8,11-dihydroxy-10-oxabicyclo[7.2.1]dodecane-12-carboxylic acid methyl ester
SpectraBase Compound ID BqjIDk1nDFA
InChI InChI=1S/C13H22O5/c1-17-13(16)10-8-6-4-2-3-5-7-9(14)11(10)18-12(8)15/h8-12,14-15H,2-7H2,1H3/t8-,9-,10-,11+,12-/m1/s1
InChIKey OHKNSWKJIJSIQY-PZWNZHSQSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELpZyeNZKZO
Name (1R,8R,9R,11R,12R)-8,11-dihydroxy-10-oxabicyclo[7.2.1]dodecane-12-carboxylic acid methyl ester
Alternate Name(s) methyl (1R,8R,9R,11R,12R)-8,11-bis(oxidanyl)-10-oxabicyclo[7.2.1]dodecane-12-carboxylate methyl (1R,8R,9R,11R,12R)-8,11-dihydroxy-10-oxabicyclo[7.2.1]dodecane-12-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-17-13(16)10-8-6-4-2-3-5-7-9(14)11(10)18-12(8)15/h8-12,14-15H,2-7H2,1H3/t8-,9-,10-,11+,12-/m1/s1
InChIKey OHKNSWKJIJSIQY-PZWNZHSQSA-N
Molecular Weight 258.314 g/mol
SMILES O[C@]1([C@]2([C@@]([C@]([C@@](O2)(O)[H])(CCCCCC1)[H])(C(=O)OC)[H])[H])[H]
SPLASH splash10-001i-0920000000-6cbfaa302a1d74d1adf6
Source of Spectrum U1-1998-685-2
Wiley ID 750930