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1-Phenyl-3-methylbutan-1,2-dione
SpectraBase Compound ID 9Xtz5nIYIgb
InChI InChI=1S/C11H12O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey YDJHKEKQYGIJGI-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 J59YYq83ENy
Name 1-Phenyl-3-methylbutan-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey YDJHKEKQYGIJGI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1024053
Molecular Weight 176.215 g/mol
SMILES c1cccc(C(C(=O)C(C)C)=O)c1
SPLASH splash10-0a4i-5900000000-f6279baa39af76e326b9
Source of Spectrum A1-13-26/SMS58-9'
Synonyms 3-Methyl-1-phenylbutane-1,2-dione
Wiley ID 1749782