Chem
J-GLOBAL ID：201507020345768814   Nikkaji number：J3.416.090B

Benzoic acid (S)-2-isocyanopentyl ester

安息香酸(S)-2-イソシアノペンチル
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： C12[C-]H15[N+]O2
Molecular formula furigana： C13-H15-N-O2
Molecular weight： 217.268
InChI： InChI=1S/C13H15NO2/c1-3-7-12(14-2)10-16-13(15)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1H3/t12-/m0/s1
InChI key： PKGWXAFMYZVWFD-LBPRGKRZSA-N
SMILES： CCC[C@@H](COC(=O)c1ccccc1)[N+]#[C-]
Systematic name  (3)：
  • 安息香酸(S)-2-イソシアノペンチル
  • (2S)-2-イソシアノペンチル ベンゾアート
  • (2S)-2-isocyanopentyl benzoate
Other name (1)：
  • Benzoic acid (S)-2-isocyanopentyl ester
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