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1-Methyl-3-oxo-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propyl benzoate
SpectraBase Compound ID A9hZps2lVa7
InChI InChI=1S/C20H26O3/c1-14-9-8-12-20(3,4)18(14)17(21)13-15(2)23-19(22)16-10-6-5-7-11-16/h5-7,9-11,15,18H,8,12-13H2,1-4H3
InChIKey AUIMEUZQOMQCIG-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Q06wn8TTFh
Name 1-Methyl-3-oxo-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)propyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-14-9-8-12-20(3,4)18(14)17(21)13-15(2)23-19(22)16-10-6-5-7-11-16/h5-7,9-11,15,18H,8,12-13H2,1-4H3
InChIKey AUIMEUZQOMQCIG-UHFFFAOYSA-N
Molecular Weight 314.425 g/mol
SMILES C(C1C(=CCCC1(C)C)C)(CC(OC(=O)c1ccccc1)C)=O
SPLASH splash10-0a4l-4900000000-e6c9f36d010597518c44
Source of Spectrum C-88-3133-5
Synonyms benzoic acid [4-oxo-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-yl] ester [4-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl] benzoate [1-methyl-3-oxo-3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl] benzoate [4-oxidanylidene-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl] benzoate
Wiley ID 1590543