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1-(5'-ACETYL-2'-METHOXYPHENYL)-3-HYDROXY-3-METHYLBITAN-1-ONE
SpectraBase Compound ID Bk3MIvu2eX
InChI InChI=1S/C14H18O4/c1-9(15)10-5-6-13(18-4)11(7-10)12(16)8-14(2,3)17/h5-7,17H,8H2,1-4H3
InChIKey DAROMUZNSGMNST-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICosuAaLHUt
Name 1-(5'-Acetyl-2'-methoxyphenyl)-3-hydroxy-3-methylbutan-1-one
Appearance Yellowish, amorphous powder
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-9(15)10-5-6-13(18-4)11(7-10)12(16)8-14(2,3)17/h5-7,17H,8H2,1-4H3
InChIKey DAROMUZNSGMNST-UHFFFAOYSA-N
Instrument Name Micromass Autospec Ultima ETOF
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np900213w
Molecular Weight 250.294 g/mol
Reported Formula C14H18O4
SMILES OC(CC(c1c(ccc(c1)C(=O)C)OC)=O)(C)C
SPLASH splash10-004l-6910000000-af754a328562d86594a9
Source of Spectrum G4-72-SM66-12
Wiley ID 1872232