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Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-ethyl-3,3-dimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.beta.)-
SpectraBase Compound ID YPh0kRkWvU
InChI InChI=1S/C14H22O3/c1-5-14(12(16)17-6-2)9-7-8-13(3,4)11(15)10(9)14/h9-10H,5-8H2,1-4H3/t9-,10-,14-/m1/s1
InChIKey HLCASSKPIWOCJI-GPCCPHFNSA-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 LlBYYNP1PI2
Name Bicyclo[4.1.0]heptane-7-carboxylic acid, 7-ethyl-3,3-dimethyl-2-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.beta.)-
CAS Registry Number 93302-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-14(12(16)17-6-2)9-7-8-13(3,4)11(15)10(9)14/h9-10H,5-8H2,1-4H3/t9-,10-,14-/m1/s1
InChIKey HLCASSKPIWOCJI-GPCCPHFNSA-N
Molecular Weight 238.327 g/mol
SMILES [C@]1([C@]2(C(C(C)(C)CC[C@@]12[H])=O)[H])(C(=O)OCC)CC
SPLASH splash10-053u-9310000000-6a672b90dd581e55a2be
Source of Spectrum H-67-1115-0
Synonyms Ethyl (1S,6R,7R)-7-ethyl-3,3-dimethyl-2-oxobicyclo[4.1.0]heptane-7-carboxylate Ethyl ester of 7-ethyl-3,3-dimethyl-2-oxobicyclo[4.1.0]heptan-7-endo-carboxylic acid
Wiley ID 1240749