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3-Methyl-3-(4'-isobutyryl)phenylpentandione
SpectraBase Compound ID AxPfwCUzEe5
InChI InChI=1S/C16H20O3/c1-10(2)15(19)13-6-8-14(9-7-13)16(5,11(3)17)12(4)18/h6-10H,1-5H3
InChIKey ZQSBCDIOKDXRAC-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aHIw2YUqZp
Name 3-Methyl-3-(4'-isobutyryl)phenylpentandione
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-10(2)15(19)13-6-8-14(9-7-13)16(5,11(3)17)12(4)18/h6-10H,1-5H3
InChIKey ZQSBCDIOKDXRAC-UHFFFAOYSA-N
Molecular Weight 260.333 g/mol
SMILES C(C(=O)C)(C(=O)C)(c1ccc(C(=O)C(C)C)cc1)C
SPLASH splash10-004i-0920000000-75646082dbd39f83edf2
Source of Spectrum F-50-8125-15
Synonyms 3-(4-isobutyrylphenyl)-3-methyl-2,4-pentanedione
Wiley ID 1264082