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Bicyclo[4.1.0]hept-2-ene-7-carboxylic acid, 7-ethyl-4,4-dimethyl-5-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.beta.)-
SpectraBase Compound ID 54ZH3MboQ5o
InChI InChI=1S/C14H20O3/c1-5-14(12(16)17-6-2)9-7-8-13(3,4)11(15)10(9)14/h7-10H,5-6H2,1-4H3/t9-,10-,14-/m0/s1
InChIKey KQMCCKNQXBOEEO-BHDSKKPTSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkRr2BkI4Gh
Name Bicyclo[4.1.0]hept-2-ene-7-carboxylic acid, 7-ethyl-4,4-dimethyl-5-oxo-, ethyl ester, (1.alpha.,6.alpha.,7.beta.)-
Alternate Name(s) Ethyl (1S,6R,7S)-7-ethyl-4,4-dimethyl-5-oxobicyclo[4.1.0]hept-2-ene-7-carboxylate Ethyl ester of 7-ethyl-4,4-dimethyl-5-oxobicyclo[4.1.0]hept-2-en-7-exo-carboxylic acid
CAS Registry Number 93207-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-5-14(12(16)17-6-2)9-7-8-13(3,4)11(15)10(9)14/h7-10H,5-6H2,1-4H3/t9-,10-,14-/m0/s1
InChIKey KQMCCKNQXBOEEO-BHDSKKPTSA-N
Molecular Weight 236.311 g/mol
SMILES [C@@]1([C@@]2(C(C(C)(C)C=C[C@]12[H])=O)[H])(C(=O)OCC)CC
SPLASH splash10-052o-6920000000-92bd4bf5aaa2bdd4633f
Source of Spectrum H-67-1115-0
Wiley ID 1238346