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2-[3'-Oxo-3'-phenylpropyl]-5,5-dimethylcyclohexane-1,3-dione
SpectraBase Compound ID Fb1Yv9CsQpH
InChI InChI=1S/C17H20O3/c1-17(2)10-15(19)13(16(20)11-17)8-9-14(18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey OWFYGAJOVXCQHH-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WNIpeMMxO1
Name 2-[3'-Oxo-3'-phenylpropyl]-5,5-dimethylcyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-17(2)10-15(19)13(16(20)11-17)8-9-14(18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey OWFYGAJOVXCQHH-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)CCC(=O)c1ccccc1
SPLASH splash10-0avi-2900000000-e94a42d5b6e63c956ac2
Source of Spectrum H-85-1282-4
Synonyms 2-(3'-Oxo-3'-phenylpropyl)-5,5-dimethylcyclohexane-1,3-dione 5,5-Dimethyl-2-(3-oxo-3-phenylpropyl)-1,3-cyclohexanedione
Wiley ID 1524401