Chem
J-GLOBAL ID:200907000040577394   Nikkaji number:J1.796.651K

Propanoic acid (1R,4S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6-yl ester

プロパン酸(1R,4S,6R)-1,3,3-トリメチル-2-オキサビシクロ[2.2.2]オクタン-6-イル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C13H22O3
Molecular formula furigana: C13-H22-O3
Molecular weight: 226.316
InChI: InChI=1S/C13H22O3/c1-5-11(14)15-10-8-9-6-7-13(10,4)16-12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10+,13+/m0/s1
InChI key: VFMZFQKPBGCUQE-OPQQBVKSSA-N
SMILES: CCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)OC2(C)C
Systematic name  (3):
  • プロパン酸(1R,4S,6R)-1,3,3-トリメチル-2-オキサビシクロ[2.2.2]オクタン-6-イル
  • (1R,4S,6R)-1,3,3-トリメチル-2-オキサビシクロ[2.2.2]オクタン-6-イル プロパノアート
  • (1R,4S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl propanoate
Other name (1):
  • Propanoic acid (1R,4S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-6-yl ester
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