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3-Cinnamylpentane-2,4-dione
SpectraBase Compound ID iMCqkGhmRO
InChI InChI=1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3/b9-6+
InChIKey PGEPOVPAPVUGAJ-RMKNXTFCSA-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 7QqTTecPdBV
Name 3-Cinnamylpentane-2,4-dione
Alternate Name(s) 3-[(E)-3-phenylprop-2-enyl]pentane-2,4-dione
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Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3/b9-6+
InChIKey PGEPOVPAPVUGAJ-RMKNXTFCSA-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-2900000000-927d78ce7bb90c6a94cf
Source of Spectrum AOC-21-963-5f
Wiley ID 1770039