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2-Oxabicyclo[2.2.2]octane-3-methanol, 5-hydroxy-1,3-dimethyl-, .alpha.-acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)-
SpectraBase Compound ID 4dJZx1O8cLq
InChI InChI=1S/C12H20O4/c1-8(13)15-7-12(3)9-4-5-11(2,16-12)6-10(9)14/h9-10,14H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKey ZZKNYKXQEBXUJK-RHYQMDGZSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JG1T59fRUL
Name 2-Oxabicyclo[2.2.2]octane-3-methanol, 5-hydroxy-1,3-dimethyl-, .alpha.-acetate, (1.alpha.,3.beta.,4.alpha.,5.beta.)-(.+-.)-
Alternate Name(s) Ex0-5-hydroxy-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-3-anemethanol monoacetate [(1S,3R,4R,5S)-5-hydroxy-1,3-dimethyl-2-oxabicyclo[2.2.2]oct-3-yl]methyl acetate
CAS Registry Number 107149-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-8(13)15-7-12(3)9-4-5-11(2,16-12)6-10(9)14/h9-10,14H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKey ZZKNYKXQEBXUJK-RHYQMDGZSA-N
Molecular Weight 228.288 g/mol
SMILES O[C@@]1([C@@]2([C@@](O[C@@](C)(CC2)C1)(COC(=O)C)C)[H])[H]
SPLASH splash10-0006-9100000000-b62060af49dff872eb7d
Source of Spectrum J-52-1510-38
Wiley ID 1229539