Chem
J-GLOBAL ID：201707001584501510
Nikkaji number：J3.533.142E
3-tert-Butylbenzoate
3-tert-ブチルベンゾアート
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
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
Molecular formula： C11H13O[O-]
Molecular formula furigana： C11-H13-O2
Molecular weight： 177.224
InChI：
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13)/p-1
InChI key：
PWEJHEZAHNQSHP-UHFFFAOYSA-M
SMILES：
CC(C)(C)c1cccc(c1)C(=O)[O-]
Systematic name (2)：
- 3-tert-ブチルベンゾアート
- 3-tert-butylbenzoate
- 3-tert-Butylbenzoate
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