Chem
J-GLOBAL ID：201407039964523863   Nikkaji number：J3.276.721D

4-(4,4,9-Trifluoro-1-oxaspiro[2.6]nonane-5-ylmethyl)benzoic acid methyl ester

4-(4,4,9-トリフルオロ-1-オキサスピロ[2.6]ノナン-5-イルメチル)安息香酸メチル
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： C17H19F3O3
Molecular formula furigana： C17-H19-F3-O3
Molecular weight： 328.331
InChI： InChI=1S/C17H19F3O3/c1-22-15(21)12-7-5-11(6-8-12)9-13-3-2-4-14(18)16(10-23-16)17(13,19)20/h5-8,13-14H,2-4,9-10H2,1H3
InChI key： KJTPYDRAJCRWTH-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(CC2CCCC(F)C3(CO3)C2(F)F)cc1
Systematic name  (3)：
  • 4-(4,4,9-トリフルオロ-1-オキサスピロ[2.6]ノナン-5-イルメチル)安息香酸メチル
  • メチル 4-({4,4,9-トリフルオロ-1-オキサスピロ[2.6]ノナン-5-イル}メチル)ベンゾアート
  • methyl 4-({4,4,9-trifluoro-1-oxaspiro[2.6]nonan-5-yl}methyl)benzoate
Other name (1)：
  • 4-(4,4,9-Trifluoro-1-oxaspiro[2.6]nonane-5-ylmethyl)benzoic acid methyl ester
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