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1-[2-Methyl(phenyl-D4)]-3-phenyl-2-propanone
SpectraBase Compound ID KZYS6nEccKi
InChI InChI=1S/C16H16O/c1-13-7-5-6-10-15(13)12-16(17)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/i5D,6D,7D,10D
InChIKey MCKUQROVSYMXKF-YPYIAUHOSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H122D4O
Exact Mass 228.145222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiX5ZLCvuKR
Name 1-[2-Methyl(phenyl-D4)]-3-phenyl-2-propanone
Alternate Name(s) 1-Phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenyl)-2-propanone 1-Phenyl-3-(2,3,4,5-tetradeuterio-6-methylphenyl)propan-2-one 1-Phenyl-3-(2,3,4,5-tetradeuterio-6-methyl-phenyl)propan-2-one
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Formula C16H12D4O
InChI InChI=1S/C16H16O/c1-13-7-5-6-10-15(13)12-16(17)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/i5D,6D,7D,10D
InChIKey MCKUQROVSYMXKF-YPYIAUHOSA-N
Molecular Weight 228.327 g/mol
SMILES c1(CC(=O)Cc2ccccc2)c(C)c([2D])c(c(c1[2D])[2D])[2D]
SPLASH splash10-0a4l-6900000000-43bec0d58b1af830e83e
Source of Spectrum J-67-2617-1
Wiley ID 1569528