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5-keto-6,6-dimethyl-3-phenyl-enanthic acid tert-butyl ester
SpectraBase Compound ID BI1vhth06g1
InChI InChI=1S/C19H28O3/c1-18(2,3)16(20)12-15(14-10-8-7-9-11-14)13-17(21)22-19(4,5)6/h7-11,15H,12-13H2,1-6H3
InChIKey AACCQNPWMCIHRW-UHFFFAOYSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zT6sWo32DM
Name 5-keto-6,6-dimethyl-3-phenyl-enanthic acid tert-butyl ester
Alternate Name(s) 6,6-dimethyl-5-oxo-3-phenylheptanoic acid tert-butyl ester tert-butyl 6,6-dimethyl-5-oxidanylidene-3-phenyl-heptanoate tert-butyl 6,6-dimethyl-5-oxo-3-phenyl-heptanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18(2,3)16(20)12-15(14-10-8-7-9-11-14)13-17(21)22-19(4,5)6/h7-11,15H,12-13H2,1-6H3
InChIKey AACCQNPWMCIHRW-UHFFFAOYSA-N
Molecular Weight 304.430 g/mol
SMILES C(CC(CC(C(C)(C)C)=O)c1ccccc1)(=O)OC(C)(C)C
SPLASH splash10-0006-0900000000-0f00accfc78a09267e7a
Source of Spectrum SO-0-652-4
Wiley ID 1542362