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3-(1-Acetoxy-ethyl)-2,4,4-trimethyl-2-cyclohexen-1-one

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3-(1-Acetoxy-ethyl)-2,4,4-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 9itnsoDqngu
InChI InChI=1S/C13H20O3/c1-8-11(15)6-7-13(4,5)12(8)9(2)16-10(3)14/h9H,6-7H2,1-5H3
InChIKey SUCYGQDAKIIKLR-UHFFFAOYSA-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 4YxlhihUiD4
Name 1-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)ethyl ethanoate
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820805
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8-11(15)6-7-13(4,5)12(8)9(2)16-10(3)14/h9H,6-7H2,1-5H3
InChIKey SUCYGQDAKIIKLR-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1CC(C(=C(C1=O)C)C(C)OC(=O)C)(C)C
SPLASH splash10-016r-9000000000-13c5b506cdf79d789fe4
Synonyms 1-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)ethyl acetate acetic acid 1-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)ethyl ester acetic acid 1-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)ethyl ester
Wiley ID 1471840