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4,4-Dimethyl-1-phenyl-3-oxopent-1-en-1-yl benzoate
SpectraBase Compound ID BZizW22eDUY
InChI InChI=1S/C20H20O3/c1-20(2,3)18(21)14-17(15-10-6-4-7-11-15)23-19(22)16-12-8-5-9-13-16/h4-14H,1-3H3/b17-14+
InChIKey OSQIIIBBTSIWGF-SAPNQHFASA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7269utr29vX
Name 4,4-Dimethyl-1-phenyl-3-oxopent-1-en-1-yl benzoate
Alternate Name(s) (1E)-4,4-dimethyl-3-oxo-1-phenyl-1-pentenyl benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H20O3
InChI InChI=1S/C20H20O3/c1-20(2,3)18(21)14-17(15-10-6-4-7-11-15)23-19(22)16-12-8-5-9-13-16/h4-14H,1-3H3/b17-14+
InChIKey OSQIIIBBTSIWGF-SAPNQHFASA-N
Molecular Weight 308.377 g/mol
SMILES C(O\C(=C\C(C(C)(C)C)=O)c1ccccc1)(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-d9b00661de31be9ad3af
Source of Spectrum KC-0-1538-8
Wiley ID 828087