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Back ChemicalBook Home>CAS DataBase List>14649-03-7More Spectrum> (S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1

14649-03-7

(S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1

Molecular FormulaC9H9NO

Molecular Weight147.17

InChIInChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1

InChIKey JJSCUXAFAJEQGB-QMMMGPOBSA-N

SmilesC1([C@@H](N=C=O)C)=CC=CC=C1

90 MHz in CDCl3

  • (S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1

    1H NMR 89.56 MHz
    C9 H9 N O 0.05 ml : 0.5 ml CDCl3
    (S)-(-)-alpha-methylbenzyl isocyanate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.30
      B             4.683
      C             1.536
  

         Hz     ppm     Int.


        660.56   7.376     28
    660.44   7.375     28
    654.94   7.313    235
    653.25   7.294   1000
    430.19   4.804     32
    423.38   4.728    100
    416.69   4.653    106
    409.94   4.578     39
    141.19   1.577    577
    134.50   1.502    550

in CDCl3

  • (S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1

liquid film

  • (S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1

  • (S)-(-)-1-Phenylethyl isocyanate(14649-03-7) IR1

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