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3-(1-Phenylallyl)pentane-2,4-dione
SpectraBase Compound ID BtLeTWbgHHX
InChI InChI=1S/C14H16O2/c1-4-13(12-8-6-5-7-9-12)14(10(2)15)11(3)16/h4-9,13-14H,1H2,2-3H3
InChIKey MTKCWFZSCQMHEU-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbxvMwA3s8G
Name 3-(1-Phenylallyl)pentane-2,4-dione
Alternate Name(s) 3-(1-phenylprop-2-enyl)pentane-2,4-dione
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Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-4-13(12-8-6-5-7-9-12)14(10(2)15)11(3)16/h4-9,13-14H,1H2,2-3H3
InChIKey MTKCWFZSCQMHEU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.1320
Molecular Weight 216.280 g/mol
SMILES CC(C(C(C)=O)C(C=C)c1ccccc1)=O
SPLASH splash10-00di-0900000000-6151d427468eb0b0ec3e
Source of Spectrum AOC-21-963-5e
Wiley ID 1770038