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5,5-Dimethyl-4-oxo-2-cyclohexen-1-yl benzoate
SpectraBase Compound ID BVxLm71b7VU
InChI InChI=1S/C15H16O3/c1-15(2)10-12(8-9-13(15)16)18-14(17)11-6-4-3-5-7-11/h3-9,12H,10H2,1-2H3
InChIKey CZPKIWXQFIRZOL-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31LhCjluMin
Name 5,5-Dimethyl-4-oxo-2-cyclohexen-1-yl benzoate
Alternate Name(s) (5,5-dimethyl-4-oxidanylidene-cyclohex-2-en-1-yl) benzoate (5,5-dimethyl-4-oxo-cyclohex-2-en-1-yl) benzoate benzoic acid (4-keto-5,5-dimethyl-cyclohex-2-en-1-yl) ester benzoic acid (5,5-dimethyl-4-oxo-1-cyclohex-2-enyl) ester Benzoic acid, (5,5-dimethyl-4-oxo-2-cyclohexenyl) ester
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Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-15(2)10-12(8-9-13(15)16)18-14(17)11-6-4-3-5-7-11/h3-9,12H,10H2,1-2H3
InChIKey CZPKIWXQFIRZOL-UHFFFAOYSA-N
Molecular Weight 244.290 g/mol
SMILES c1cc(ccc1)C(=O)OC1CC(C(C=C1)=O)(C)C
SPLASH splash10-0a4i-4900000000-bc625b20d882cfedd66a
Wiley ID 1478431