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8-Oxabicyclo[3.2.1]octane-2-acetic acid, 2,4-dimethyl-3-oxo-, methyl ester, (2-exo,4-endo)-(.+-.)-
SpectraBase Compound ID GMhH2AGglX5
InChI InChI=1S/C12H18O4/c1-7-8-4-5-9(16-8)12(2,11(7)14)6-10(13)15-3/h7-9H,4-6H2,1-3H3/t7-,8-,9+,12-/m0/s1
InChIKey PDHNGDCMJZGYNR-UOKLYIGXSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yp5UuLHTYx
Name 8-Oxabicyclo[3.2.1]octane-2-acetic acid, 2,4-dimethyl-3-oxo-, methyl ester, (2-exo,4-endo)-(.+-.)-
CAS Registry Number 121878-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-8-4-5-9(16-8)12(2,11(7)14)6-10(13)15-3/h7-9H,4-6H2,1-3H3/t7-,8-,9+,12-/m0/s1
InChIKey PDHNGDCMJZGYNR-UOKLYIGXSA-N
Molecular Weight 226.272 g/mol
SMILES [C@@]1(C([C@@](C)([C@]2(O[C@@]1(CC2)[H])[H])[H])=O)(CC(=O)OC)C
SPLASH splash10-056r-2900000000-d36d26dbe0c28b4156b3
Source of Spectrum F-44-5155-3
Synonyms 2,4-Dimethyl-2-(methyl-2'-ethanoate)-8-oxabicyclo[3.2.1]octan-3-one Methyl (2,4-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-2-yl)acetate
Wiley ID 1227293