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3-Methyl-5-oxo-5-phenylpentanoic acid tert-butyl ester
SpectraBase Compound ID Hk9Tnndxttb
InChI InChI=1S/C16H22O3/c1-12(11-15(18)19-16(2,3)4)10-14(17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKey YDTOKMZJVLIHSK-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcoGkpxphcN
Name 3-methyl-5-oxo-5-phenylpentanoic acid tert-butyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(11-15(18)19-16(2,3)4)10-14(17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKey YDTOKMZJVLIHSK-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES C(CC(CC(c1ccccc1)=O)C)(=O)OC(C)(C)C
SPLASH splash10-0a4i-0900000000-a8d682c2df6dda13436a
Source of Spectrum SO-0-652-4
Synonyms 5-keto-3-methyl-5-phenyl-valeric acid tert-butyl ester tert-butyl 3-methyl-5-oxidanylidene-5-phenyl-pentanoate tert-butyl 3-methyl-5-oxo-5-phenyl-pentanoate
Wiley ID 1542361