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1-Propanone, 2-hydroxy-1-[4-(2-methylpropyl)phenyl]-
SpectraBase Compound ID 41a9x3k4J1C
InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10,14H,8H2,1-3H3
InChIKey VQMRCOSNFBHDNL-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZUrGC0WRCj
Name 1-Propanone, 2-hydroxy-1-[4-(2-methylpropyl)phenyl]-
Alternate Name(s) 2-Hydroxy-1-(4-isobutylphenyl)-1-propanone 1-Hydroxyethyl 4'-isobutylphenyl ketone 1-Hydroxyethyl 4-isobutylphenyl ketone 2-hydroxy-1-[4-(2-methylpropyl)phenyl]-1-propanone 2-hydroxy-1-[4-(2-methylpropyl)phenyl]propan-1-one 1-[4-(2-methylpropyl)phenyl]-2-oxidanyl-propan-1-one
CAS Registry Number 129159-22-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10,14H,8H2,1-3H3
InChIKey VQMRCOSNFBHDNL-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OC(C(c1ccc(cc1)CC(C)C)=O)C
SPLASH splash10-01ot-9800000000-84894a2ef05d2511626b
Source of Spectrum QA-42-582-3b
Wiley ID 862011