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1-(5-butyl-2,4-dihydroxyphenyl)ethan-1-one
SpectraBase Compound ID 4OZZPBAodRl
InChI InChI=1S/C12H16O3/c1-3-4-5-9-6-10(8(2)13)12(15)7-11(9)14/h6-7,14-15H,3-5H2,1-2H3
InChIKey FYYBESHTALAAHO-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6pFxxZK3lP
Name 1-(5-butyl-2,4-dihydroxyphenyl)ethan-1-one
Appearance Colourless solid
Carrier Gas Helium
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Exact Mass 208.109944372 u
Formula C12H16O3
GC Oven Program Oven temp 300oC
InChI InChI=1S/C12H16O3/c1-3-4-5-9-6-10(8(2)13)12(15)7-11(9)14/h6-7,14-15H,3-5H2,1-2H3
InChIKey FYYBESHTALAAHO-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201703270
Molecular Weight 208.257 g/mol
Quality 994
SMILES OC1=C(C=C(C(=C1)O)CCCC)C(C)=O
SPLASH splash10-014i-4910000000-e59138f1868199b5342b
Source of Spectrum ACI-56-SM33-2g (DOI: 10.1002/anie.201703270)
Thin-Layer Chromatography 0.7 (CH2Cl2/EtOAc, 90:10)
Wiley ID 1896058