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Bicyclo[5.1.0]octane-2-carboxylic acid, 4,8,8-trimethyl-3-oxo-, ethyl ester, [1R-(1.alpha.,2.alpha.,4.alpha.,7.alpha.)]-
SpectraBase Compound ID HbOxjzQviu2
InChI InChI=1S/C14H22O3/c1-5-17-13(16)10-11-9(14(11,3)4)7-6-8(2)12(10)15/h8-11H,5-7H2,1-4H3/t8-,9-,10+,11+/m1/s1
InChIKey UHBNDZPLAGZFHK-ZNSHCXBVSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxVujlhMIVJ
Name Bicyclo[5.1.0]octane-2-carboxylic acid, 4,8,8-trimethyl-3-oxo-, ethyl ester, [1R-(1.alpha.,2.alpha.,4.alpha.,7.alpha.)]-
CAS Registry Number 112853-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-17-13(16)10-11-9(14(11,3)4)7-6-8(2)12(10)15/h8-11H,5-7H2,1-4H3/t8-,9-,10+,11+/m1/s1
InChIKey UHBNDZPLAGZFHK-ZNSHCXBVSA-N
Molecular Weight 238.327 g/mol
SMILES [C@]12(C(C)(C)[C@@]2(CC[C@](C([C@]1(C(=O)OCC)[H])=O)(C)[H])[H])[H]
SPLASH splash10-05mw-8930000000-4db23d683de3ea3e6249
Source of Spectrum F-43-1106-2
Synonyms (+)-2-Ethoxycarbonyl-4,8,8-trimethyl-bicyclo[5.1.0]octa-3-one (1R,2S,4R,7R) (1S,2S,4R,7R)-(+)-2-ethoxycarbonyl-4,8,8-trimethyl-bicyclo(5,1,0)octan-3-one Ethyl (1S,2S,4R,7R)-4,8,8-trimethyl-3-oxobicyclo[5.1.0]octane-2-carboxylate
Wiley ID 1240781