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5-(1-Acetoxy-1-methyl-ethyl)-2-methyl-2-cyclohexen-1-one
SpectraBase Compound ID HhUcv99Rj5i
InChI InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
InChIKey FTCAQUBXEGKQTD-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSYKyLJhOpN
Name 5-(1-Acetoxy-1-methyl-ethyl)-2-methyl-2-cyclohexen-1-one
CAS Registry Number 87578-93-6
Comments Edited after expert review for air contamination - Original record with SpectrumID 467449 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
InChIKey FTCAQUBXEGKQTD-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1C(CC=C(C1=O)C)C(C)(C)OC(=O)C
SPLASH splash10-052f-9400000000-8c3eab0ad05a3fe4f057
Source of Spectrum CM-1999-5095-0
Synonyms (S)-(+)-5-(1-Acetoxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one 1-Methyl-1-(4-methyl-5-oxo-3-cyclohexen-1-yl)ethyl acetate (S)-(+)-Carvone acetate 2-(4-Methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate 2-(4-Methyl-5-oxidanylidene-cyclohex-3-en-1-yl)propan-2-yl ethanoate Acetic acid 2-(4-methyl-5-oxo-1-cyclohex-3-enyl)propan-2-yl ester Acetic acid 1-methyl-1-(4-methyl-5-oxo-cyclohex-3-enyl)-ethyl ester [1-methyl-1-(4-methyl-5-oxo-cyclohex-3-en-1-yl)ethyl] acetate Acetic acid, 1-methyl-1-(4-methyl-5-oxo-cyclohex-3-enyl)ethyl ester
Wiley ID 1820807