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4',5'-dimethyl-2'-hydroxypropiophenone
SpectraBase Compound ID FM4CYBGC8MW
InChI InChI=1S/C11H14O2/c1-4-10(12)9-5-7(2)8(3)6-11(9)13/h5-6,13H,4H2,1-3H3
InChIKey JQMFVNFIGSUPBI-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vVJqiqVzJO
Name 1-(2-hydroxy-4,5-dimethyl-phenyl)propan-1-one
Alternate Name(s) 1-(2-hydroxy-4,5-dimethylphenyl)-1-propanone 1-(4,5-dimethyl-2-oxidanyl-phenyl)propan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-4-10(12)9-5-7(2)8(3)6-11(9)13/h5-6,13H,4H2,1-3H3
InChIKey JQMFVNFIGSUPBI-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES Oc1c(cc(C)c(c1)C)C(=O)CC
SPLASH splash10-0002-0900000000-9b947f161c41fa9b6114
Source of Spectrum SO-0-27-12
Wiley ID 1540406