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2-Cyclohexen-1-one, 3-(benzoyloxy)-6-(1,1-dimethylethyl)-
SpectraBase Compound ID JqUatRzlz8x
InChI InChI=1S/C17H20O3/c1-17(2,3)14-10-9-13(11-15(14)18)20-16(19)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKey REKLINIAFNFGSI-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3lMPksI6bD
Name 2-Cyclohexen-1-one, 3-(benzoyloxy)-6-(1,1-dimethylethyl)-
Alternate Name(s) 3-Oxo-4-t-butylcyclohex-1-enyl benzoate 4-tert-Butyl-3-oxo-1-cyclohexen-1-yl benzoate
CAS Registry Number 66049-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-17(2,3)14-10-9-13(11-15(14)18)20-16(19)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKey REKLINIAFNFGSI-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES C1(C=C(OC(=O)c2ccccc2)CCC1C(C)(C)C)=O
SPLASH splash10-066r-0790000000-ba2ec9cfb4342f17cff7
Source of Spectrum KC-1977-17-1898
Wiley ID 1276427