Chem
J-GLOBAL ID：200907091177464835   Nikkaji number：J1.973.260F

(S)-α-(Ethoxycarbonyloxy)-4-methylbenzeneacetonitrile

炭酸エチル(S)-(4-メチルフェニル)シアノメチル
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： C12H13NO3
Molecular formula furigana： C12-H13-N-O3
Molecular weight： 219.240
InChI： InChI=1S/C12H13NO3/c1-3-15-12(14)16-11(8-13)10-6-4-9(2)5-7-10/h4-7,11H,3H2,1-2H3/t11-/m1/s1
InChI key： HIDFJWIKPOHZOW-LLVKDONJSA-N
SMILES： CCOC(=O)O[C@H](C#N)c1ccc(C)cc1
Systematic name  (5)：
  • 炭酸エチル(S)-(4-メチルフェニル)シアノメチル
  • (S)-α-(エトキシカルボニルオキシ)-4-メチルベンゼンアセトニトリル
  • 炭酸O-エチルO-[(S)-α-シアノ-4-メチルベンジル]
  • (2S)-2-[(エトキシカルボニル)オキシ]-2-(4-メチルフェニル)アセトニトリル
  • (2S)-2-[(ethoxycarbonyl)oxy]-2-(4-methylphenyl)acetonitrile
Other name (3)：
  • Carbonic acid ethyl(S)-(4-methylphenyl)cyanomethyl ester
  • (S)-α-(Ethoxycarbonyloxy)-4-methylbenzeneacetonitrile
  • Carbonic acid O-ethyl O-[(S)-α-cyano-4-methylbenzyl] ester
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