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59346-56-4

2,2,4-TRIMETHYL-3-HYDROXY-N-VALERONITRILE

Product Name 2,2,4-TRIMETHYL-3-HYDROXY-N-VALERONITRILE

CAS59346-56-4

MFC8H15NO

MW141.21

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  • 59346-56-4_ms_1
    Mass

    MS-NW-8761          
    3-hydroxy-2,2,4-trimethylvaleronitrile
    C8H15NO             (Mass of molecular ion:    141)
    

       Source Temperature: 270 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       2.5
          18.0       1.4
          26.0       1.3
          27.0      19.3
          28.0      10.4
          29.0      14.2
          30.0       3.3
          31.0      10.6
          38.0       1.1
          39.0      15.5
          40.0       3.0
          41.0      33.5
          42.0      20.8
          43.0      71.8
          44.0       3.4
          45.0      10.9
          51.0       1.1
          52.0       2.3
          53.0       4.3
          54.0      16.5
          55.0      69.7
          56.0      26.1
          57.0      33.1
          58.0       1.8
          59.0       1.2
          66.0       1.0
          67.0       1.5
          68.0      11.3
          69.0     100.0
          70.0      43.5
          71.0       8.3
          72.0      77.6
          73.0      94.8
          74.0       4.4
          81.0       1.4
          82.0       2.6
          83.0       2.3
          84.0       3.7
          85.0       1.7
          97.0       1.0
          98.0      14.9
          99.0       1.5
         100.0       2.0
         124.0       1.6
    

400 MHz in CDCl3

  • 59346-56-4_1hnmr_0

    1H NMR 399.65 MHz
    C8 H15 N O 0.05 ml : 0.5 ml CDCl3
    3-hydroxy-2,2,4-trimethylvaleronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.249 B 2.64 C 2.009 D *1 1.433 E *1 1.346 F 1.054

         Hz     ppm     Int.
    

       1300.29   3.254    190
       1297.00   3.246    187
       1055.66   2.642     23
        818.48   2.048     23
        815.31   2.041     23
        811.65   2.031     57
        808.35   2.023     56
        804.81   2.014     77
        801.51   2.006     76
        797.97   1.997     61
        794.68   1.989     59
        791.14   1.980     27
        787.84   1.972     26
        573.00   1.434   1000
        538.09   1.347    973
        424.80   1.063    902
        417.72   1.046    933
    

in CDCl3

  • 59346-56-4_13cnmr_0

KBr disc

  • 59346-56-4_ir1_2

nujol mull

  • 59346-56-4_ir2_1

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