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2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 2-ethoxycarbonyl-3-oxo-4,7,7-trimethylbutyl ester
SpectraBase Compound ID 86sT9qRhV4g
InChI InChI=1S/C20H32O6/c1-9-24-15(22)19(8,12(2)3)13(4)25-16(23)20-11-10-18(7,14(21)26-20)17(20,5)6/h12-13H,9-11H2,1-8H3/t13?,18-,19?,20+/m1/s1
InChIKey BOZXWRRFODLQTC-RWPMSNGHSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qopojlJpL9
Name 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 2-ethoxycarbonyl-3-oxo-4,7,7-trimethylbutyl ester
Alternate Name(s) (2-ethoxycarbonyl-1,2,3-trimethyl-butyl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate (3-ethoxycarbonyl-3,4-dimethyl-pentan-2-yl) 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate (3-ethoxycarbonyl-3,4-dimethylpentan-2-yl) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid (3-ethoxycarbonyl-3,4-dimethylpentan-2-yl) ester 2-(Ethoxycarbonyl)-1,2,3-trimethylbutyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid (2-carbethoxy-1,2,3-trimethyl-butyl) ester
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Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-9-24-15(22)19(8,12(2)3)13(4)25-16(23)20-11-10-18(7,14(21)26-20)17(20,5)6/h12-13H,9-11H2,1-8H3/t13?,18-,19?,20+/m1/s1
InChIKey BOZXWRRFODLQTC-RWPMSNGHSA-N
Molecular Weight 368.470 g/mol
SMILES CCOC(=O)C(C)(C(C)C)C(C)OC([C@]12OC([C@@](CC2)(C1(C)C)C)=O)=O
SPLASH splash10-057j-8900000000-4fb71ae417681052f870
Wiley ID 1479189