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2-Methyl-1-phenylbutane-1,3-dione
SpectraBase Compound ID 2zURfXtB4rg
InChI InChI=1S/C11H12O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey IRNJRGVFXLVQEK-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUhU0ypCFi0
Name 2-Methyl-1-phenylbutane-1,3-dione
CAS Registry Number 6668-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey IRNJRGVFXLVQEK-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES c1cc(ccc1)C(=O)C(C)C(=O)C
SPLASH splash10-0a4i-4900000000-4c160a0ee7c2afc04a47
Source of Spectrum AD-0-4947-0
Synonyms 1,3-Butanedione, 2-methyl-1-phenyl- 2-Methyl-1-phenyl-1,3-butanedione 2-Methyl-1-phenyl-butane-1,3-dione
Wiley ID 1172381