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3-Hydroxy-3-methyl-1-phenoxybutan-2-one
SpectraBase Compound ID L56PDEUyM8
InChI InChI=1S/C11H14O3/c1-11(2,13)10(12)8-14-9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3
InChIKey JHLFKAZHGCIIKW-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jy6nyXAW0
Name 3-Hydroxy-3-methyl-1-phenoxybutan-2-one
Appearance White solid
Carrier Gas Helium (0.7 mL/min)
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Exact Mass 194.094294308 u
Formula C11H14O3
GC Column (60 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C11H14O3/c1-11(2,13)10(12)8-14-9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3
InChIKey JHLFKAZHGCIIKW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.44
Molecular Weight 194.230 g/mol
Quality 442
SMILES OC(C(=O)COC1=CC=CC=C1)(C)C
SPLASH splash10-0k96-9500000000-7cdd150e6f5e127a8aa6
Source of Spectrum BJO-18-SM4-4a (DOI: 10.3762/bjoc.18.44)
Wiley ID 1901274