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(1S,2S,6R)-2-ethenyl-2,6-dimethyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 751LthviA1l
InChI InChI=1S/C13H20O3/c1-5-13(4)8-10(14)7-9(3)11(13)12(15)16-6-2/h5,9,11H,1,6-8H2,2-4H3/t9-,11-,13-/m1/s1
InChIKey MYGPVIOHYRYZDQ-IRUJWGPZSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FiwGuk6Fu3
Name (1S,2S,6R)-2-ethenyl-2,6-dimethyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester
CAS Registry Number 91199-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-13(4)8-10(14)7-9(3)11(13)12(15)16-6-2/h5,9,11H,1,6-8H2,2-4H3/t9-,11-,13-/m1/s1
InChIKey MYGPVIOHYRYZDQ-IRUJWGPZSA-N
Molecular Weight 224.300 g/mol
SMILES [C@]1([C@]([C@](C)(CC(C1)=O)[H])(C(=O)OCC)[H])(C=C)C
SPLASH splash10-092c-9800000000-ede3e9a09316246b1914
Source of Spectrum J-49-3225-0
Synonyms (1S,2S,6R)-4-keto-2,6-dimethyl-2-vinyl-cyclohexanecarboxylic acid ethyl ester Ethyl (1S,2S,6R)-2,6-dimethyl-4-oxo-2-vinyl-cyclohexanecarboxylate Ethyl (1S,2S,6R)-2-ethenyl-2,6-dimethyl-4-oxidanylidene-cyclohexane-1-carboxylate Ethyl (1S,2S,6R)-2-ethenyl-2,6-dimethyl-4-oxocyclohexane-1-carboxylate
Wiley ID 1225232