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
Download MOL file 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: C13 H22 O3 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 Thsaurus map: Related Article, Patent and Research Project: All Articles Patents Research Projects
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