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2-Methyl-2-(5-oxo-5-phenyl-pent-3-enyl)-cyclopentane-1,3-dione
SpectraBase Compound ID L7rK9pj7HsO
InChI InChI=1S/C17H18O3/c1-17(15(19)10-11-16(17)20)12-6-5-9-14(18)13-7-3-2-4-8-13/h2-5,7-9H,6,10-12H2,1H3/b9-5+
InChIKey SJEAOSATUYSHEA-WEVVVXLNSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NnrwbY29Zo
Name 2-Methyl-2-(5-oxo-5-phenyl-pent-3-enyl)-cyclopentane-1,3-dione
Alternate Name(s) (E)-2-methyl-2-(5-oxo-5-phenylpent-3-en-1-yl)cyclopentane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-17(15(19)10-11-16(17)20)12-6-5-9-14(18)13-7-3-2-4-8-13/h2-5,7-9H,6,10-12H2,1H3/b9-5+
InChIKey SJEAOSATUYSHEA-WEVVVXLNSA-N
Literature Reference DOI 10.1021/ol9014943
Molecular Weight 270.328 g/mol
SMILES C1(C(CCC1=O)=O)(CC\C=C\C(c1ccccc1)=O)C
SPLASH splash10-0ae9-4930000000-acbfb210c837e0594836
Source of Spectrum A1-11-3778/SMS14-26
Wiley ID 1757204