Acetone cyanohydrin (75-86-5) ¹³C NMR

Product NameAcetone cyanohydrin

CAS 75-86-5

Molecular FormulaC4H7NO

Molecular Weight85.1

InChIInChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

InChIKey MWFMGBPGAXYFAR-UHFFFAOYSA-N

SmilesC(#N)C(O)(C)C

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¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4388          
2-hydroxy-2-methylpropionitrile
C4H7NO              (Mass of molecular ion:     85)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      13.0       1.1
      14.0       3.5
      15.0      26.1
      18.0       1.5
      26.0       6.8
      27.0      36.8
      28.0       4.8
      29.0       3.5
      31.0       1.9
      37.0       2.2
      38.0       2.6
      39.0       5.9
      40.0       2.4
      41.0       9.5
      42.0      16.5
      43.0      86.2
      44.0       2.9
      51.0       1.2
      52.0       2.9
      54.0       1.5
      58.0      22.5
      59.0       2.5
      68.0       3.6
      69.0       4.4
      70.0     100.0
      71.0       4.0

parameter in CDCl3

¹H NMR	300 MHz
C₄ H₇ N O	0.04 ml : 0.5 ml CDCl₃
2-hydroxy-2-methylpropionitrile

    Parameter     ppm  Hz

      D(A)         3.63
     
      D(B)         1.627

     Hz     ppm     Int.

    488.10   1.627   1000

in CDCl3

liquid film

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