Chem
J-GLOBAL ID：200907040535193543   Nikkaji number：J823.511B

4-[(2-Methyladamantane-2-yl)carbonyl]benzoate

4-[(2-メチルアダマンタン-2-イル)カルボニル]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： C19H21O2[O-]
Molecular formula furigana： C19-H21-O3
Molecular weight： 297.375
InChI： InChI=1S/C19H22O3/c1-19(15-7-11-6-12(9-15)10-16(19)8-11)17(20)13-2-4-14(5-3-13)18(21)22/h2-5,11-12,15-16H,6-10H2,1H3,(H,21,22)/p-1/t11-,12?,15-,16?,19?/m0/s1
InChI key： RCHNBGXTMJTNBL-PEIIHXLESA-M
SMILES： CC1(C2CC3C[C@@H](C[C@H]1C3)C2)C(=O)c1ccc(cc1)C(=O)[O-]
Systematic name  (4)：
  • 4-[(9-メチルアダマンタン-9-イル)カルボニル]安息香酸アニオン
  • 4-[(2-メチルアダマンタン-2-イル)カルボニル]ベンゾアート
  • 4-[(1r,5r)-2-メチルアダマンタン-2-カルボニル]ベンゾアート
  • 4-[(1r,5r)-2-methyladamantane-2-carbonyl]benzoate
Other name (2)：
  • 4-[(9-Methyladamantan-9-yl)carbonyl]benzoic acid anion
  • 4-[(2-Methyladamantane-2-yl)carbonyl]benzoate
Thsaurus map：
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