Chem
J-GLOBAL ID：200907018614985700   Nikkaji number：J2.179.032J

α,4-Dimethyl(α-13C,18O)benzenemethanol 2,3,4,5,6-pentafluorobenzoate

α,4-ジメチル(α-13C,18O)ベンゼンメタノール2,3,4,5,6-ペンタフルオロベンゾアート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C15[13C]H11F5O[18O]
Molecular formula furigana： C16-H11-F5-O2
Molecular weight： 333.247
InChI： InChI=1S/C16H11F5O2/c1-7-3-5-9(6-4-7)8(2)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h3-6,8H,1-2H3/i8+1,23+2
InChI key： WWZARCTVHRUYIP-XENVLWRESA-N
SMILES： C[13CH]([18O]C(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc(C)cc1
Systematic name  (1)：
  • α,4-ジメチル(α-13C,18O)ベンゼンメタノール2,3,4,5,6-ペンタフルオロベンゾアート
Other name (1)：
  • α,4-Dimethyl(α-13C,18O)benzenemethanol 2,3,4,5,6-pentafluorobenzoate
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