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2-(3'-Oxo-3'-phenylpropyl)cyclohexane-1,3-dione
SpectraBase Compound ID 3bgTb9l7k0G
InChI InChI=1S/C15H16O3/c16-13(11-5-2-1-3-6-11)10-9-12-14(17)7-4-8-15(12)18/h1-3,5-6,12H,4,7-10H2
InChIKey TVSXYTNIXYFJSF-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 4hjsjqDb96
Name 2-(3'-Oxo-3'-phenylpropyl)cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c16-13(11-5-2-1-3-6-11)10-9-12-14(17)7-4-8-15(12)18/h1-3,5-6,12H,4,7-10H2
InChIKey TVSXYTNIXYFJSF-UHFFFAOYSA-N
Molecular Weight 244.290 g/mol
SMILES C1(C(=O)CCCC1=O)CCC(=O)c1ccccc1
SPLASH splash10-0udr-1900000000-baeab8ff63d3aba6deef
Source of Spectrum H-85-1282-4
Synonyms 2-[3'-Oxo-3'-phenylpropyl]cyclohexane-1,3-dione 2-(3-oxo-3-phenylpropyl)-1,3-cyclohexanedione 2-(3-oxo-3-phenylpropyl)cyclohexane-1,3-dione 2-(3-oxo-3-phenyl-propyl)cyclohexane-1,3-dione 2-(3-oxidanylidene-3-phenyl-propyl)cyclohexane-1,3-dione
Wiley ID 1524290