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2-Oxabicyclo[2.2.2]octane-6-carboxylic acid, 8,8-dimethoxy-1,5-dimethyl-3-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.,6.alpha.)-
SpectraBase Compound ID 9N9QdKzWqf4
InChI InChI=1S/C13H20O6/c1-7-8(10(14)16-3)12(2)6-13(17-4,18-5)9(7)11(15)19-12/h7-9H,6H2,1-5H3/t7-,8-,9-,12+/m1/s1
InChIKey DORQRDXPQOUTNB-HNBLOZHYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfsVklxR2lC
Name 2-Oxabicyclo[2.2.2]octane-6-carboxylic acid, 8,8-dimethoxy-1,5-dimethyl-3-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.,6.alpha.)-
CAS Registry Number 107959-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-7-8(10(14)16-3)12(2)6-13(17-4,18-5)9(7)11(15)19-12/h7-9H,6H2,1-5H3/t7-,8-,9-,12+/m1/s1
InChIKey DORQRDXPQOUTNB-HNBLOZHYSA-N
Molecular Weight 272.297 g/mol
SMILES [C@@]12([C@]([C@@](C)([C@](C(C2)(OC)OC)([H])C(O1)=O)[H])(C(=O)OC)[H])C
SPLASH splash10-0016-9600000000-d4dc439dd1be9ea12e1d
Source of Spectrum J-52-1902-68
Synonyms Methyl (1S,4S,5R,6S)-8,8-dimethoxy-1,5-dimethyl-3-oxo-2-oxabicyclo[2.2.2]octane-6-carboxylate Methyl 8,8-dimethoxy-1,5-dimethyl-3-oxo-2-oxabicyclo-[2.2.2]octane-6-carboxylate
Wiley ID 1275880